1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol

C20H21ClN2O — CID 56549432

IUPAC1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol
SMILESCc1c(Cl)c(CN(CC(C)O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H21ClN2O/c1-14(24)12-23(16-8-4-3-5-9-16)13-19-20(21)15(2)17-10-6-7-11-18(17)22-19/h3-11,14,24H,12-13H2,1-2H3
InChIKeyVIQLLBCWVUIHMS-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.58
Rot. Bonds5

About 1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol

1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol (PubChem CID 56549432) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol.

Molecular Properties

Compound Name1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol
PubChem CID56549432
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol
SMILESCc1c(Cl)c(CN(CC(C)O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H21ClN2O/c1-14(24)12-23(16-8-4-3-5-9-16)13-19-20(21)15(2)17-10-6-7-11-18(17)22-19/h3-11,14,24H,12-13H2,1-2H3
InChIKeyVIQLLBCWVUIHMS-UHFFFAOYSA-N
XLogP4.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol?
The IUPAC name of 1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol (CID 56549432) is 1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol.
What is the SMILES notation for 1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol?
The canonical SMILES for 1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol is Cc1c(Cl)c(CN(CC(C)O)c2ccccc2)nc2ccccc12.
What is the InChIKey of 1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol?
The InChIKey is VIQLLBCWVUIHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-14(24)12-23(16-8-4-3-5-9-16)13-19-20(21)15(2)17-10-6-7-11-18(17)22-19/h3-11,14,24H,12-13H2,1-2H3.
What are the key properties of 1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol?
1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol has a molecular weight of 340.85 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol is sourced from PubChem (CID 56549432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).