(6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol

C18H25ClN2O — CID 31274987

IUPAC(6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol
SMILESCc1cc(N[C@@H](C)CCCC(C)(C)O)nc2cc(Cl)ccc12
InChIInChI=1S/C18H25ClN2O/c1-12-10-17(20-13(2)6-5-9-18(3,4)22)21-16-11-14(19)7-8-15(12)16/h7-8,10-11,13,22H,5-6,9H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyOMIOJWGIEOPMFL-ZDUSSCGKSA-N
MW320.86 g/mol
LogP4.94
Rot. Bonds6

About (6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol

(6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol (PubChem CID 31274987) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is (6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol.

Molecular Properties

Compound Name(6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol
PubChem CID31274987
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name(6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol
SMILESCc1cc(N[C@@H](C)CCCC(C)(C)O)nc2cc(Cl)ccc12
InChIInChI=1S/C18H25ClN2O/c1-12-10-17(20-13(2)6-5-9-18(3,4)22)21-16-11-14(19)7-8-15(12)16/h7-8,10-11,13,22H,5-6,9H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyOMIOJWGIEOPMFL-ZDUSSCGKSA-N
XLogP4.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol?
The IUPAC name of (6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol (CID 31274987) is (6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol.
What is the SMILES notation for (6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol?
The canonical SMILES for (6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol is Cc1cc(N[C@@H](C)CCCC(C)(C)O)nc2cc(Cl)ccc12.
What is the InChIKey of (6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol?
The InChIKey is OMIOJWGIEOPMFL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-12-10-17(20-13(2)6-5-9-18(3,4)22)21-16-11-14(19)7-8-15(12)16/h7-8,10-11,13,22H,5-6,9H2,1-4H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol?
(6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol has a molecular weight of 320.86 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(7-chloro-4-methylquinolin-2-yl)amino]-2-methylheptan-2-ol is sourced from PubChem (CID 31274987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).