N-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide

C20H22N2O2 — CID 53316989

IUPACN-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide
SMILESCOc1cccc(N2CC(NC(=O)C3CC3)Cc3ccccc32)c1
InChIInChI=1S/C20H22N2O2/c1-24-18-7-4-6-17(12-18)22-13-16(21-20(23)14-9-10-14)11-15-5-2-3-8-19(15)22/h2-8,12,14,16H,9-11,13H2,1H3,(H,21,23)
InChIKeyXJUIOQGWQPAILQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.28
Rot. Bonds4

About N-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide

N-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide (PubChem CID 53316989) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide
PubChem CID53316989
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide
SMILESCOc1cccc(N2CC(NC(=O)C3CC3)Cc3ccccc32)c1
InChIInChI=1S/C20H22N2O2/c1-24-18-7-4-6-17(12-18)22-13-16(21-20(23)14-9-10-14)11-15-5-2-3-8-19(15)22/h2-8,12,14,16H,9-11,13H2,1H3,(H,21,23)
InChIKeyXJUIOQGWQPAILQ-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899503
Ucm1014
CID 121231413
AAE-M-PBP-amine
CID 24763223
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}acetamide
CID 16656789
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
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N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}butanamide
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N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750077
N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide
CID 24750189
(4R)-6-[(E)-5-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 146035914
N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
CID 122188346
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide
CID 3691945
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464473

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide (CID 53316989) is N-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide is COc1cccc(N2CC(NC(=O)C3CC3)Cc3ccccc32)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is XJUIOQGWQPAILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-24-18-7-4-6-17(12-18)22-13-16(21-20(23)14-9-10-14)11-15-5-2-3-8-19(15)22/h2-8,12,14,16H,9-11,13H2,1H3,(H,21,23).
What are the key properties of N-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide?
N-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 53316989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).