N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide

C21H22N4O2 — CID 55962066

IUPACN-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NC(C)c3ccc(NC(N)=O)cc3)c(C)nc2c1
InChIInChI=1S/C21H22N4O2/c1-12-4-5-16-11-18(14(3)23-19(16)10-12)20(26)24-13(2)15-6-8-17(9-7-15)25-21(22)27/h4-11,13H,1-3H3,(H,24,26)(H3,22,25,27)
InChIKeyCAVTYHGSWGXRGQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.83
Rot. Bonds4

About N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide

N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide (PubChem CID 55962066) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide
PubChem CID55962066
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NC(C)c3ccc(NC(N)=O)cc3)c(C)nc2c1
InChIInChI=1S/C21H22N4O2/c1-12-4-5-16-11-18(14(3)23-19(16)10-12)20(26)24-13(2)15-6-8-17(9-7-15)25-21(22)27/h4-11,13H,1-3H3,(H,24,26)(H3,22,25,27)
InChIKeyCAVTYHGSWGXRGQ-UHFFFAOYSA-N
XLogP3.83
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 134021169
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide
CID 94066121
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide
CID 106852997
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 47034489
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 55653906
N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 46665827
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide
CID 47034204
3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide
CID 87045343
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617996
1-[(1S)-1-[4-(carbamoylamino)phenyl]ethyl]-3-[(4-methylphenyl)methyl]urea
CID 94818960

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide (CID 55962066) is N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide is Cc1ccc2cc(C(=O)NC(C)c3ccc(NC(N)=O)cc3)c(C)nc2c1.
What is the InChIKey of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide?
The InChIKey is CAVTYHGSWGXRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-12-4-5-16-11-18(14(3)23-19(16)10-12)20(26)24-13(2)15-6-8-17(9-7-15)25-21(22)27/h4-11,13H,1-3H3,(H,24,26)(H3,22,25,27).
What are the key properties of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide?
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 55962066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).