5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide

C20H25N5O5S — CID 10813325

IUPAC5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide
SMILESCOc1cc2nc(N[C@H](C)Cc3ccc(OC)c(S(N)(=O)=O)c3)nc(N)c2cc1OC
InChIInChI=1S/C20H25N5O5S/c1-11(7-12-5-6-15(28-2)18(8-12)31(22,26)27)23-20-24-14-10-17(30-4)16(29-3)9-13(14)19(21)25-20/h5-6,8-11H,7H2,1-4H3,(H2,22,26,27)(H3,21,23,24,25)/t11-/m1/s1
InChIKeyQIIBGPIFAIVPTJ-LLVKDONJSA-N
MW447.52 g/mol
LogP1.93
Rot. Bonds8

About 5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide

5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide (PubChem CID 10813325) has the molecular formula C20H25N5O5S and a molecular weight of 447.52 g/mol. Its IUPAC name is 5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide
PubChem CID10813325
Molecular FormulaC20H25N5O5S
Molecular Weight447.52 g/mol
Exact Mass447.16
IUPAC Name5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide
SMILESCOc1cc2nc(N[C@H](C)Cc3ccc(OC)c(S(N)(=O)=O)c3)nc(N)c2cc1OC
InChIInChI=1S/C20H25N5O5S/c1-11(7-12-5-6-15(28-2)18(8-12)31(22,26)27)23-20-24-14-10-17(30-4)16(29-3)9-13(14)19(21)25-20/h5-6,8-11H,7H2,1-4H3,(H2,22,26,27)(H3,21,23,24,25)/t11-/m1/s1
InChIKeyQIIBGPIFAIVPTJ-LLVKDONJSA-N
XLogP1.93
TPSA151.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide (CID 10813325) is 5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide is COc1cc2nc(N[C@H](C)Cc3ccc(OC)c(S(N)(=O)=O)c3)nc(N)c2cc1OC.
What is the InChIKey of 5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide?
The InChIKey is QIIBGPIFAIVPTJ-LLVKDONJSA-N. The full InChI is InChI=1S/C20H25N5O5S/c1-11(7-12-5-6-15(28-2)18(8-12)31(22,26)27)23-20-24-14-10-17(30-4)16(29-3)9-13(14)19(21)25-20/h5-6,8-11H,7H2,1-4H3,(H2,22,26,27)(H3,21,23,24,25)/t11-/m1/s1.
What are the key properties of 5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide?
5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide has a molecular weight of 447.52 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 10813325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).