N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide

C23H27N3O2 — CID 110620872

IUPACN-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc2cc(CCC(=O)NCC(c3ccccc3)N(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C23H27N3O2/c1-16-9-10-18-14-19(23(28)25-20(18)13-16)11-12-22(27)24-15-21(26(2)3)17-7-5-4-6-8-17/h4-10,13-14,21H,11-12,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyWBEBVVLJWQOLRT-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.19
Rot. Bonds7

About N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide

N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110620872) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110620872
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc2cc(CCC(=O)NCC(c3ccccc3)N(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C23H27N3O2/c1-16-9-10-18-14-19(23(28)25-20(18)13-16)11-12-22(27)24-15-21(26(2)3)17-7-5-4-6-8-17/h4-10,13-14,21H,11-12,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyWBEBVVLJWQOLRT-UHFFFAOYSA-N
XLogP3.19
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
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3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
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N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide
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N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110302420
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110423215
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
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N-[2-(4-methoxyphenyl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
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3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 53174855
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135794841
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-(1-phenylethyl)propanamide
CID 110298844
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(3-methylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 110620872) is N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide is Cc1ccc2cc(CCC(=O)NCC(c3ccccc3)N(C)C)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is WBEBVVLJWQOLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-9-10-18-14-19(23(28)25-20(18)13-16)11-12-22(27)24-15-21(26(2)3)17-7-5-4-6-8-17/h4-10,13-14,21H,11-12,15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 377.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110620872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).