(4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C21H23ClN2O2 — CID 141372707

IUPAC(4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1Cc2ccccc2C[C@H]1CN1CCOCC1
InChIInChI=1S/C21H23ClN2O2/c22-19-7-5-16(6-8-19)21(25)24-14-18-4-2-1-3-17(18)13-20(24)15-23-9-11-26-12-10-23/h1-8,20H,9-15H2/t20-/m0/s1
InChIKeyNTAZRZJMCCBNBI-FQEVSTJZSA-N
MW370.88 g/mol
LogP3.24
Rot. Bonds3

About (4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

(4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 141372707) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is (4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID141372707
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name(4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1Cc2ccccc2C[C@H]1CN1CCOCC1
InChIInChI=1S/C21H23ClN2O2/c22-19-7-5-16(6-8-19)21(25)24-14-18-4-2-1-3-17(18)13-20(24)15-23-9-11-26-12-10-23/h1-8,20H,9-15H2/t20-/m0/s1
InChIKeyNTAZRZJMCCBNBI-FQEVSTJZSA-N
XLogP3.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[3-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 18914316
benzyl 7-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 175727947
1-[5-chloro-2-[3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3-pyridinyl]indazole-3-carboxylic acid
CID 175402406
2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 16779266
5-[4-amino-5-methoxy-2-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 168969413
1-[6-bromo-7-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2,2-trifluoroethanone
CID 121453617
5-[5-chloro-2-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,2-dimethyl-N-(4-phenylmethoxyphenyl)pyrrole-3-carboxamide
CID 168969537
(4-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 133134656
5-[5-chloro-2-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(3-cyano-4-fluorophenyl)-N-(4-hydroxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 138692122
5-[5-chloro-2-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(3-cyano-4-hydroxyphenyl)-N-(4-hydroxyphenyl)-1,2-dimethylpyrrole-3-carboxamide;hydrochloride
CID 162467714
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
[(3R)-3-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone
CID 167694651

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 141372707) is (4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is O=C(c1ccc(Cl)cc1)N1Cc2ccccc2C[C@H]1CN1CCOCC1.
What is the InChIKey of (4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is NTAZRZJMCCBNBI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-19-7-5-16(6-8-19)21(25)24-14-18-4-2-1-3-17(18)13-20(24)15-23-9-11-26-12-10-23/h1-8,20H,9-15H2/t20-/m0/s1.
What are the key properties of (4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 370.88 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 141372707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).