(2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol

C24H22ClN3O — CID 71022765

IUPAC(2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol
SMILESCc1cc(N[C@H](C)CO)nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc12
InChIInChI=1S/C24H22ClN3O/c1-15-11-24(27-16(2)14-29)28-23-10-5-18(12-21(15)23)22-9-6-19(13-26-22)17-3-7-20(25)8-4-17/h3-13,16,29H,14H2,1-2H3,(H,27,28)/t16-/m1/s1
InChIKeyCLLJVEDRZCHDDA-MRXNPFEDSA-N
MW403.91 g/mol
LogP5.72
Rot. Bonds5

About (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol

(2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol (PubChem CID 71022765) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol
PubChem CID71022765
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name(2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol
SMILESCc1cc(N[C@H](C)CO)nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc12
InChIInChI=1S/C24H22ClN3O/c1-15-11-24(27-16(2)14-29)28-23-10-5-18(12-21(15)23)22-9-6-19(13-26-22)17-3-7-20(25)8-4-17/h3-13,16,29H,14H2,1-2H3,(H,27,28)/t16-/m1/s1
InChIKeyCLLJVEDRZCHDDA-MRXNPFEDSA-N
XLogP5.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

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
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine
CID 91884589
N-(7-chloroquinolin-4-yl)-N'-(2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine
CID 71736287
N-(7-chloro-4-quinolyl)-N'-(4-morpholinopyrimidin-2-yl)propane-1,3-diamine
CID 76314307
6-(2-chlorophenyl)-N-piperidin-4-ylquinazolin-4-amine
CID 3233369
1-Amino-3-(7-(4-(dimethylamino)phenyl)-1,6-naphthyridin-5-ylamino)propan-2-ol
CID 10149940
4-[7-(4-Dimethylamino-phenyl)-[1,6]naphthyridin-5-ylamino]-butan-1-ol
CID 10286667
N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine
CID 24891646
2-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-ylamino]ethanol
CID 25020305
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 70682873
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)propane-1,3-diamine
CID 70682874

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol (CID 71022765) is (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol is Cc1cc(N[C@H](C)CO)nc2ccc(-c3ccc(-c4ccc(Cl)cc4)cn3)cc12.
What is the InChIKey of (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol?
The InChIKey is CLLJVEDRZCHDDA-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-15-11-24(27-16(2)14-29)28-23-10-5-18(12-21(15)23)22-9-6-19(13-26-22)17-3-7-20(25)8-4-17/h3-13,16,29H,14H2,1-2H3,(H,27,28)/t16-/m1/s1.
What are the key properties of (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol?
(2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol has a molecular weight of 403.91 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-[5-(4-chlorophenyl)-2-pyridinyl]-4-methylquinolin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 71022765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).