(2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide

C15H16ClN3O2 — CID 97258760

IUPAC(2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide
SMILESCc1c(Cl)ccc2ccc(N3CCO[C@H](C(N)=O)C3)nc12
InChIInChI=1S/C15H16ClN3O2/c1-9-11(16)4-2-10-3-5-13(18-14(9)10)19-6-7-21-12(8-19)15(17)20/h2-5,12H,6-8H2,1H3,(H2,17,20)/t12-/m0/s1
InChIKeyNBXMWNVOJLYEGA-LBPRGKRZSA-N
MW305.77 g/mol
LogP1.89
Rot. Bonds2

About (2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide

(2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide (PubChem CID 97258760) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is (2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide
PubChem CID97258760
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name(2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide
SMILESCc1c(Cl)ccc2ccc(N3CCO[C@H](C(N)=O)C3)nc12
InChIInChI=1S/C15H16ClN3O2/c1-9-11(16)4-2-10-3-5-13(18-14(9)10)19-6-7-21-12(8-19)15(17)20/h2-5,12H,6-8H2,1H3,(H2,17,20)/t12-/m0/s1
InChIKeyNBXMWNVOJLYEGA-LBPRGKRZSA-N
XLogP1.89
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-quinolin-2-ylmorpholine-2-carboxamide
CID 133278543
(3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol
CID 97258754
5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128563921
4-(3-methylquinoxalin-2-yl)morpholine-2-carboxamide
CID 49432754
methyl 4-quinolin-2-ylmorpholine-2-carboxylate
CID 78926263
4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid
CID 117008772
4-(2-methyl-4-pyridinyl)morpholine-2-carboxamide
CID 133464225
2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol
CID 133437520
(2R)-4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 97350829
6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid
CID 167978033
N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62284426
1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide
CID 133437188

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide?
The IUPAC name of (2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide (CID 97258760) is (2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide is Cc1c(Cl)ccc2ccc(N3CCO[C@H](C(N)=O)C3)nc12.
What is the InChIKey of (2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide?
The InChIKey is NBXMWNVOJLYEGA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-9-11(16)4-2-10-3-5-13(18-14(9)10)19-6-7-21-12(8-19)15(17)20/h2-5,12H,6-8H2,1H3,(H2,17,20)/t12-/m0/s1.
What are the key properties of (2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide?
(2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide is sourced from PubChem (CID 97258760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).