N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide

C25H31N3O — CID 21297679

IUPACN-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide
SMILESCCCN(CCC)CCC(NC(=O)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C25H31N3O/c1-3-17-28(18-4-2)19-16-23(20-10-6-5-7-11-20)27-25(29)24-15-14-21-12-8-9-13-22(21)26-24/h5-15,23H,3-4,16-19H2,1-2H3,(H,27,29)
InChIKeyVYRZWIYEGRMCQO-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.22
Rot. Bonds10

About N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide

N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide (PubChem CID 21297679) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide
PubChem CID21297679
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide
SMILESCCCN(CCC)CCC(NC(=O)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C25H31N3O/c1-3-17-28(18-4-2)19-16-23(20-10-6-5-7-11-20)27-25(29)24-15-14-21-12-8-9-13-22(21)26-24/h5-15,23H,3-4,16-19H2,1-2H3,(H,27,29)
InChIKeyVYRZWIYEGRMCQO-UHFFFAOYSA-N
XLogP5.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(quinoline-2-carbonylamino)pentanoic acid
CID 107564261
N-heptan-2-ylquinoline-2-carboxamide
CID 46571103
N-[(1R)-1-phenylpropyl]-1,6-naphthyridine-2-carboxamide
CID 16731063
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]quinoline-2-carboxamide
CID 9148328
N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493
but-2-enedioic acid;N-[3-(diethylamino)-1-phenylpropyl]-2-quinolin-2-ylacetamide
CID 67930085
N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide
CID 51492407
3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
CID 16795877
2-cyano-N-(1-phenylbutyl)-3-quinolin-2-ylprop-2-enamide
CID 123441763
2-(ethylamino)-1-quinolin-2-ylpropan-1-one
CID 15501222
N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
CID 30479872

Frequently Asked Questions

What is the IUPAC name of N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide?
The IUPAC name of N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide (CID 21297679) is N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide is CCCN(CCC)CCC(NC(=O)c1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide?
The InChIKey is VYRZWIYEGRMCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-3-17-28(18-4-2)19-16-23(20-10-6-5-7-11-20)27-25(29)24-15-14-21-12-8-9-13-22(21)26-24/h5-15,23H,3-4,16-19H2,1-2H3,(H,27,29).
What are the key properties of N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide?
N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide is sourced from PubChem (CID 21297679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).