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

C33H27N5O3 — CID 53492944

IUPACN-cyclopropyl-3-[3-[4-[(1-hydroxyquinolin-5-ylidene)amino]-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
SMILESO=C(NC1CC1)c1cccc(-c2cccc(-c3cc(/N=c4\cccc5n(O)cccc4-5)c4c(n3)CCNC4=O)c2)c1
InChIInChI=1S/C33H27N5O3/c39-32(35-24-12-13-24)23-8-2-6-21(18-23)20-5-1-7-22(17-20)28-19-29(31-27(37-28)14-15-34-33(31)40)36-26-10-3-11-30-25(26)9-4-16-38(30)41/h1-11,16-19,24,41H,12-15H2,(H,34,40)(H,35,39)/b36-26+
InChIKeyOBULYFWFRKRFQV-LZBRRTOVSA-N
MW541.61 g/mol
LogP4.97
Rot. Bonds5

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

N-cyclopropyl-3-[3-[4-[(1-hydroxyquinolin-5-ylidene)amino]-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide (PubChem CID 53492944) has the molecular formula C33H27N5O3 and a molecular weight of 541.61 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-[4-[(1-hydroxyquinolin-5-ylidene)amino]-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-[4-[(1-hydroxyquinolin-5-ylidene)amino]-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
PubChem CID53492944
Molecular FormulaC33H27N5O3
Molecular Weight541.61 g/mol
Exact Mass541.21
IUPAC NameN-cyclopropyl-3-[3-[4-[(1-hydroxyquinolin-5-ylidene)amino]-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
SMILESO=C(NC1CC1)c1cccc(-c2cccc(-c3cc(/N=c4\cccc5n(O)cccc4-5)c4c(n3)CCNC4=O)c2)c1
InChIInChI=1S/C33H27N5O3/c39-32(35-24-12-13-24)23-8-2-6-21(18-23)20-5-1-7-22(17-20)28-19-29(31-27(37-28)14-15-34-33(31)40)36-26-10-3-11-30-25(26)9-4-16-38(30)41/h1-11,16-19,24,41H,12-15H2,(H,34,40)(H,35,39)/b36-26+
InChIKeyOBULYFWFRKRFQV-LZBRRTOVSA-N
XLogP4.97
TPSA108.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.61
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-[4-[(1-hydroxyquinolin-5-ylidene)amino]-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
The IUPAC name of N-cyclopropyl-3-[3-[4-[(1-hydroxyquinolin-5-ylidene)amino]-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide (CID 53492944) is N-cyclopropyl-3-[3-[4-[(1-hydroxyquinolin-5-ylidene)amino]-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[3-[4-[(1-hydroxyquinolin-5-ylidene)amino]-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[3-[4-[(1-hydroxyquinolin-5-ylidene)amino]-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide is O=C(NC1CC1)c1cccc(-c2cccc(-c3cc(/N=c4\cccc5n(O)cccc4-5)c4c(n3)CCNC4=O)c2)c1.
What is the InChIKey of N-cyclopropyl-3-[3-[4-[(1-hydroxyquinolin-5-ylidene)amino]-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
The InChIKey is OBULYFWFRKRFQV-LZBRRTOVSA-N. The full InChI is InChI=1S/C33H27N5O3/c39-32(35-24-12-13-24)23-8-2-6-21(18-23)20-5-1-7-22(17-20)28-19-29(31-27(37-28)14-15-34-33(31)40)36-26-10-3-11-30-25(26)9-4-16-38(30)41/h1-11,16-19,24,41H,12-15H2,(H,34,40)(H,35,39)/b36-26+.
What are the key properties of N-cyclopropyl-3-[3-[4-[(1-hydroxyquinolin-5-ylidene)amino]-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
N-cyclopropyl-3-[3-[4-[(1-hydroxyquinolin-5-ylidene)amino]-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide has a molecular weight of 541.61 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-[4-[(1-hydroxyquinolin-5-ylidene)amino]-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 53492944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).