N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide

C19H18N4O2 — CID 94066121

IUPACN-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C19H18N4O2/c1-12(13-6-9-15(10-7-13)22-19(20)25)21-18(24)17-11-8-14-4-2-3-5-16(14)23-17/h2-12H,1H3,(H,21,24)(H3,20,22,25)/t12-/m1/s1
InChIKeyCIMHDRPXMDNBEC-GFCCVEGCSA-N
MW334.38 g/mol
LogP3.22
Rot. Bonds4

About N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide

N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide (PubChem CID 94066121) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide
PubChem CID94066121
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C19H18N4O2/c1-12(13-6-9-15(10-7-13)22-19(20)25)21-18(24)17-11-8-14-4-2-3-5-16(14)23-17/h2-12H,1H3,(H,21,24)(H3,20,22,25)/t12-/m1/s1
InChIKeyCIMHDRPXMDNBEC-GFCCVEGCSA-N
XLogP3.22
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
CID 30479872
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide
CID 9467467
1-(4-propan-2-ylphenyl)-3-(quinoline-2-carbonylamino)thiourea
CID 9157805
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide
CID 9481673
N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide
CID 51492407
N-[4-(3-methylbutanoylamino)phenyl]quinoline-2-carboxamide
CID 33027080
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide
CID 55962066
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide (CID 94066121) is N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide is C[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide?
The InChIKey is CIMHDRPXMDNBEC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12(13-6-9-15(10-7-13)22-19(20)25)21-18(24)17-11-8-14-4-2-3-5-16(14)23-17/h2-12H,1H3,(H,21,24)(H3,20,22,25)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide?
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 94066121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).