2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine

C23H25N7 — CID 175956391

IUPAC2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine
SMILESCc1ccncc1-c1ccc(N)c2c1NC(N)(c1cnc3c(c1)CN(C)CC3)N=C2
InChIInChI=1S/C23H25N7/c1-14-5-7-26-11-18(14)17-3-4-20(24)19-12-28-23(25,29-22(17)19)16-9-15-13-30(2)8-6-21(15)27-10-16/h3-5,7,9-12,29H,6,8,13,24-25H2,1-2H3
InChIKeyNTNMTSQCSQUFTR-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.64
Rot. Bonds2

About 2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine

2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine (PubChem CID 175956391) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine.

Molecular Properties

Compound Name2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine
PubChem CID175956391
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC Name2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine
SMILESCc1ccncc1-c1ccc(N)c2c1NC(N)(c1cnc3c(c1)CN(C)CC3)N=C2
InChIInChI=1S/C23H25N7/c1-14-5-7-26-11-18(14)17-3-4-20(24)19-12-28-23(25,29-22(17)19)16-9-15-13-30(2)8-6-21(15)27-10-16/h3-5,7,9-12,29H,6,8,13,24-25H2,1-2H3
InChIKeyNTNMTSQCSQUFTR-UHFFFAOYSA-N
XLogP2.64
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine
CID 175956399
3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine
CID 143718971
2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 4245605
2-(4-methyl-3-pyridinyl)aniline
CID 65438543
3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine
CID 154976323
2-amino-2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)ethanol
CID 83833852
3,7-dimethyl-6,8-dihydro-5H-1,7-naphthyridine
CID 59437026
4-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)quinazoline-2,5-diamine
CID 170311040
1-isoquinolin-1-yl-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine
CID 42601633
6-methyl-3-(oxetan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 155579851
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)cyclopropan-1-amine
CID 84766707
4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride
CID 71758030

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine?
The IUPAC name of 2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine (CID 175956391) is 2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine.
What is the SMILES notation for 2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine?
The canonical SMILES for 2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine is Cc1ccncc1-c1ccc(N)c2c1NC(N)(c1cnc3c(c1)CN(C)CC3)N=C2.
What is the InChIKey of 2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine?
The InChIKey is NTNMTSQCSQUFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7/c1-14-5-7-26-11-18(14)17-3-4-20(24)19-12-28-23(25,29-22(17)19)16-9-15-13-30(2)8-6-21(15)27-10-16/h3-5,7,9-12,29H,6,8,13,24-25H2,1-2H3.
What are the key properties of 2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine?
2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine has a molecular weight of 399.50 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-(4-methyl-3-pyridinyl)-1H-quinazoline-2,5-diamine is sourced from PubChem (CID 175956391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).