N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide

C33H27N5O2 — CID 53492946

IUPACN-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
SMILESO=C(NC1CC1)c1cccc(-c2cccc(-c3cc(Nc4ccnc5ccccc45)c4c(n3)CCNC4=O)c2)c1
InChIInChI=1S/C33H27N5O2/c39-32(36-24-11-12-24)23-8-4-6-21(18-23)20-5-3-7-22(17-20)29-19-30(31-28(38-29)14-16-35-33(31)40)37-27-13-15-34-26-10-2-1-9-25(26)27/h1-10,13,15,17-19,24H,11-12,14,16H2,(H,35,40)(H,36,39)(H,34,37,38)
InChIKeyHNEJJHGMWCDPAP-UHFFFAOYSA-N
MW525.61 g/mol
LogP5.89
Rot. Bonds6

About N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide

N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide (PubChem CID 53492946) has the molecular formula C33H27N5O2 and a molecular weight of 525.61 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
PubChem CID53492946
Molecular FormulaC33H27N5O2
Molecular Weight525.61 g/mol
Exact Mass525.22
IUPAC NameN-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
SMILESO=C(NC1CC1)c1cccc(-c2cccc(-c3cc(Nc4ccnc5ccccc45)c4c(n3)CCNC4=O)c2)c1
InChIInChI=1S/C33H27N5O2/c39-32(36-24-11-12-24)23-8-4-6-21(18-23)20-5-3-7-22(17-20)29-19-30(31-28(38-29)14-16-35-33(31)40)37-27-13-15-34-26-10-2-1-9-25(26)27/h1-10,13,15,17-19,24H,11-12,14,16H2,(H,35,40)(H,36,39)(H,34,37,38)
InChIKeyHNEJJHGMWCDPAP-UHFFFAOYSA-N
XLogP5.89
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
The IUPAC name of N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide (CID 53492946) is N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide is O=C(NC1CC1)c1cccc(-c2cccc(-c3cc(Nc4ccnc5ccccc45)c4c(n3)CCNC4=O)c2)c1.
What is the InChIKey of N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
The InChIKey is HNEJJHGMWCDPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N5O2/c39-32(36-24-11-12-24)23-8-4-6-21(18-23)20-5-3-7-22(17-20)29-19-30(31-28(38-29)14-16-35-33(31)40)37-27-13-15-34-26-10-2-1-9-25(26)27/h1-10,13,15,17-19,24H,11-12,14,16H2,(H,35,40)(H,36,39)(H,34,37,38).
What are the key properties of N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide has a molecular weight of 525.61 g/mol, XLogP of 5.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 53492946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).