2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese

C85H71Cl5F5MnN17O4 — CID 157390156

IUPAC2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese
SMILESFc1cccc2c(Cl)nc(Cl)nc12.Fc1cccc2c1N=C(Cl)N1CC(Cc3ccccc3)N=C21.Fc1cccc2c1nc(Cl)n1cc(Cc3ccccc3)nc21.N.NC(CO)Cc1ccccc1.Nc1nc2c(F)cccc2c2nc(Cc3ccccc3)cn12.O=[Mn]=O.OCC(Cc1ccccc1)Nc1nc(Cl)nc2c(F)cccc12
InChIInChI=1S/C17H15ClFN3O.C17H13ClFN3.C17H11ClFN3.C17H13FN4.C9H13NO.C8H3Cl2FN2.Mn.H3N.2O/c18-17-21-15-13(7-4-8-14(15)19)16(22-17)20-12(10-23)9-11-5-2-1-3-6-11;2*18-17-21-15-13(7-4-8-14(15)19)16-20-12(10-22(16)17)9-11-5-2-1-3-6-11;18-14-8-4-7-13-15(14)21-17(19)22-10-12(20-16(13)22)9-11-5-2-1-3-6-11;10-9(7-11)6-8-4-2-1-3-5-8;9-7-4-2-1-3-5(11)6(4)12-8(10)13-7;;;;/h1-8,12,23H,9-10H2,(H,20,21,22);1-8,12H,9-10H2;1-8,10H,9H2;1-8,10H,9H2,(H2,19,21);1-5,9,11H,6-7,10H2;1-3H;;1H3;;
InChIKeyXSJXTJFZNWYXPP-UHFFFAOYSA-N
MW1721.81 g/mol
LogP18.18
Rot. Bonds14

About 2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese

2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese (PubChem CID 157390156) has the molecular formula C85H71Cl5F5MnN17O4 and a molecular weight of 1721.81 g/mol. Its IUPAC name is 2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese.

Molecular Properties

Compound Name2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese
PubChem CID157390156
Molecular FormulaC85H71Cl5F5MnN17O4
Molecular Weight1721.81 g/mol
Exact Mass1718.36
IUPAC Name2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese
SMILESFc1cccc2c(Cl)nc(Cl)nc12.Fc1cccc2c1N=C(Cl)N1CC(Cc3ccccc3)N=C21.Fc1cccc2c1nc(Cl)n1cc(Cc3ccccc3)nc21.N.NC(CO)Cc1ccccc1.Nc1nc2c(F)cccc2c2nc(Cc3ccccc3)cn12.O=[Mn]=O.OCC(Cc1ccccc1)Nc1nc(Cl)nc2c(F)cccc12
InChIInChI=1S/C17H15ClFN3O.C17H13ClFN3.C17H11ClFN3.C17H13FN4.C9H13NO.C8H3Cl2FN2.Mn.H3N.2O/c18-17-21-15-13(7-4-8-14(15)19)16(22-17)20-12(10-23)9-11-5-2-1-3-6-11;2*18-17-21-15-13(7-4-8-14(15)19)16-20-12(10-22(16)17)9-11-5-2-1-3-6-11;18-14-8-4-7-13-15(14)21-17(19)22-10-12(20-16(13)22)9-11-5-2-1-3-6-11;10-9(7-11)6-8-4-2-1-3-5-8;9-7-4-2-1-3-5(11)6(4)12-8(10)13-7;;;;/h1-8,12,23H,9-10H2,(H,20,21,22);1-8,12H,9-10H2;1-8,10H,9H2;1-8,10H,9H2,(H2,19,21);1-5,9,11H,6-7,10H2;1-3H;;1H3;;
InChIKeyXSJXTJFZNWYXPP-UHFFFAOYSA-N
XLogP18.18
TPSA313.57 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms117
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001721.81
LogP ≤ 518.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese?
The IUPAC name of 2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese (CID 157390156) is 2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese.
What is the SMILES notation for 2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese?
The canonical SMILES for 2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese is Fc1cccc2c(Cl)nc(Cl)nc12.Fc1cccc2c1N=C(Cl)N1CC(Cc3ccccc3)N=C21.Fc1cccc2c1nc(Cl)n1cc(Cc3ccccc3)nc21.N.NC(CO)Cc1ccccc1.Nc1nc2c(F)cccc2c2nc(Cc3ccccc3)cn12.O=[Mn]=O.OCC(Cc1ccccc1)Nc1nc(Cl)nc2c(F)cccc12.
What is the InChIKey of 2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese?
The InChIKey is XSJXTJFZNWYXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O.C17H13ClFN3.C17H11ClFN3.C17H13FN4.C9H13NO.C8H3Cl2FN2.Mn.H3N.2O/c18-17-21-15-13(7-4-8-14(15)19)16(22-17)20-12(10-23)9-11-5-2-1-3-6-11;2*18-17-21-15-13(7-4-8-14(15)19)16-20-12(10-22(16)17)9-11-5-2-1-3-6-11;18-14-8-4-7-13-15(14)21-17(19)22-10-12(20-16(13)22)9-11-5-2-1-3-6-11;10-9(7-11)6-8-4-2-1-3-5-8;9-7-4-2-1-3-5(11)6(4)12-8(10)13-7;;;;/h1-8,12,23H,9-10H2,(H,20,21,22);1-8,12H,9-10H2;1-8,10H,9H2;1-8,10H,9H2,(H2,19,21);1-5,9,11H,6-7,10H2;1-3H;;1H3;;.
What are the key properties of 2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese?
2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese has a molecular weight of 1721.81 g/mol, XLogP of 18.18, 14 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese is sourced from PubChem (CID 157390156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).