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

C35H34N6O2 — CID 53492947

IUPACN-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
SMILESCN(C)CCCNC(=O)c1cccc(-c2cccc(-c3cc(Nc4cccc5ncccc45)c4c(n3)CCNC4=O)c2)c1
InChIInChI=1S/C35H34N6O2/c1-41(2)19-7-17-37-34(42)26-11-4-9-24(21-26)23-8-3-10-25(20-23)31-22-32(33-30(40-31)15-18-38-35(33)43)39-29-14-5-13-28-27(29)12-6-16-36-28/h3-6,8-14,16,20-22H,7,15,17-19H2,1-2H3,(H,37,42)(H,38,43)(H,39,40)
InChIKeyQCXFHKAQLCMKFI-UHFFFAOYSA-N
MW570.70 g/mol
LogP5.67
Rot. Bonds9

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

N-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide (PubChem CID 53492947) has the molecular formula C35H34N6O2 and a molecular weight of 570.70 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
PubChem CID53492947
Molecular FormulaC35H34N6O2
Molecular Weight570.70 g/mol
Exact Mass570.27
IUPAC NameN-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
SMILESCN(C)CCCNC(=O)c1cccc(-c2cccc(-c3cc(Nc4cccc5ncccc45)c4c(n3)CCNC4=O)c2)c1
InChIInChI=1S/C35H34N6O2/c1-41(2)19-7-17-37-34(42)26-11-4-9-24(21-26)23-8-3-10-25(20-23)31-22-32(33-30(40-31)15-18-38-35(33)43)39-29-14-5-13-28-27(29)12-6-16-36-28/h3-6,8-14,16,20-22H,7,15,17-19H2,1-2H3,(H,37,42)(H,38,43)(H,39,40)
InChIKeyQCXFHKAQLCMKFI-UHFFFAOYSA-N
XLogP5.67
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.70
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide (CID 53492947) is N-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide is CN(C)CCCNC(=O)c1cccc(-c2cccc(-c3cc(Nc4cccc5ncccc45)c4c(n3)CCNC4=O)c2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
The InChIKey is QCXFHKAQLCMKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O2/c1-41(2)19-7-17-37-34(42)26-11-4-9-24(21-26)23-8-3-10-25(20-23)31-22-32(33-30(40-31)15-18-38-35(33)43)39-29-14-5-13-28-27(29)12-6-16-36-28/h3-6,8-14,16,20-22H,7,15,17-19H2,1-2H3,(H,37,42)(H,38,43)(H,39,40).
What are the key properties of N-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
N-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide has a molecular weight of 570.70 g/mol, XLogP of 5.67, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 53492947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).