3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide

C25H25ClN4O2 — CID 83273334

IUPAC3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCCCN(CCC(=O)NCc1ccco1)c1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C25H25ClN4O2/c1-2-14-30(15-13-23(31)27-17-18-8-7-16-32-18)25-20-10-4-6-12-22(20)28-24(29-25)19-9-3-5-11-21(19)26/h3-12,16H,2,13-15,17H2,1H3,(H,27,31)
InChIKeyGNLDTCUTGKCNJH-UHFFFAOYSA-N
MW448.95 g/mol
LogP5.47
Rot. Bonds9

About 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide

3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 83273334) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide
PubChem CID83273334
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCCCN(CCC(=O)NCc1ccco1)c1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C25H25ClN4O2/c1-2-14-30(15-13-23(31)27-17-18-8-7-16-32-18)25-20-10-4-6-12-22(20)28-24(29-25)19-9-3-5-11-21(19)26/h3-12,16H,2,13-15,17H2,1H3,(H,27,31)
InChIKeyGNLDTCUTGKCNJH-UHFFFAOYSA-N
XLogP5.47
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
CID 83281785
N-(furan-2-ylmethyl)-3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
CID 42809443
N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide
CID 46133910
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
CID 83280150
3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 42809506
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 83288989
N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide
CID 42809565
3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid
CID 42809423
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300001
N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
CID 93300017
3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide
CID 93299874

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide (CID 83273334) is 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide is CCCN(CCC(=O)NCc1ccco1)c1nc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is GNLDTCUTGKCNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-2-14-30(15-13-23(31)27-17-18-8-7-16-32-18)25-20-10-4-6-12-22(20)28-24(29-25)19-9-3-5-11-21(19)26/h3-12,16H,2,13-15,17H2,1H3,(H,27,31).
What are the key properties of 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide?
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 448.95 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 83273334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).