2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol

C25H24ClFN4O — CID 126532390

IUPAC2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
SMILESCCC(Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F
InChIInChI=1S/C25H24ClFN4O/c1-4-21(17-7-5-6-8-20(17)27)31-23-18-11-15(9-10-22(18)28-14-19(23)26)16-12-29-24(30-13-16)25(2,3)32/h5-14,21,32H,4H2,1-3H3,(H,28,31)
InChIKeySCELQBVHISIVJG-UHFFFAOYSA-N
MW450.95 g/mol
LogP6.27
Rot. Bonds6

About 2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol

2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol (PubChem CID 126532390) has the molecular formula C25H24ClFN4O and a molecular weight of 450.95 g/mol. Its IUPAC name is 2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
PubChem CID126532390
Molecular FormulaC25H24ClFN4O
Molecular Weight450.95 g/mol
Exact Mass450.16
IUPAC Name2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
SMILESCCC(Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F
InChIInChI=1S/C25H24ClFN4O/c1-4-21(17-7-5-6-8-20(17)27)31-23-18-11-15(9-10-22(18)28-14-19(23)26)16-12-29-24(30-13-16)25(2,3)32/h5-14,21,32H,4H2,1-3H3,(H,28,31)
InChIKeySCELQBVHISIVJG-UHFFFAOYSA-N
XLogP6.27
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol with MolForge

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Related Compounds

Aminoquinazoline, 18
CID 24863671
N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine
CID 70702306
2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
CID 126531356
9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51351032
N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 929366
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2465035
N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide
CID 164809124
6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine
CID 3233369
2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine
CID 3232645
2-(3-chlorophenyl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 9880709
N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
CID 24737670
N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine
CID 24891646

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol (CID 126532390) is 2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol is CCC(Nc1c(Cl)cnc2ccc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F.
What is the InChIKey of 2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol?
The InChIKey is SCELQBVHISIVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O/c1-4-21(17-7-5-6-8-20(17)27)31-23-18-11-15(9-10-22(18)28-14-19(23)26)16-12-29-24(30-13-16)25(2,3)32/h5-14,21,32H,4H2,1-3H3,(H,28,31).
What are the key properties of 2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol?
2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol has a molecular weight of 450.95 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 126532390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).