N-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine

C25H26N6 — CID 166369484

IUPACN-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine
SMILESCN(C)c1nccc2c1CN(c1nc(NCc3ccccc3)c3ccccc3n1)CC2
InChIInChI=1S/C25H26N6/c1-30(2)24-21-17-31(15-13-19(21)12-14-26-24)25-28-22-11-7-6-10-20(22)23(29-25)27-16-18-8-4-3-5-9-18/h3-12,14H,13,15-17H2,1-2H3,(H,27,28,29)
InChIKeyNZDFKOYCAXOIFA-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.27
Rot. Bonds5

About N-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine

N-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine (PubChem CID 166369484) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is N-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine
PubChem CID166369484
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC NameN-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine
SMILESCN(C)c1nccc2c1CN(c1nc(NCc3ccccc3)c3ccccc3n1)CC2
InChIInChI=1S/C25H26N6/c1-30(2)24-21-17-31(15-13-19(21)12-14-26-24)25-28-22-11-7-6-10-20(22)23(29-25)27-16-18-8-4-3-5-9-18/h3-12,14H,13,15-17H2,1-2H3,(H,27,28,29)
InChIKeyNZDFKOYCAXOIFA-UHFFFAOYSA-N
XLogP4.27
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine?
The IUPAC name of N-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine (CID 166369484) is N-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine?
The canonical SMILES for N-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine is CN(C)c1nccc2c1CN(c1nc(NCc3ccccc3)c3ccccc3n1)CC2.
What is the InChIKey of N-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine?
The InChIKey is NZDFKOYCAXOIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6/c1-30(2)24-21-17-31(15-13-19(21)12-14-26-24)25-28-22-11-7-6-10-20(22)23(29-25)27-16-18-8-4-3-5-9-18/h3-12,14H,13,15-17H2,1-2H3,(H,27,28,29).
What are the key properties of N-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine?
N-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine has a molecular weight of 410.53 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine is sourced from PubChem (CID 166369484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).