4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine

C25H25N5 — CID 17035760

IUPAC4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine
SMILESCc1cc2nc(Nc3nc4c(c(-c5ccccc5)n3)CCCC4)nc(C)c2cc1C
InChIInChI=1S/C25H25N5/c1-15-13-20-17(3)26-24(28-22(20)14-16(15)2)30-25-27-21-12-8-7-11-19(21)23(29-25)18-9-5-4-6-10-18/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,26,27,28,29,30)
InChIKeyYKEAUUSXHFXXBI-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.63
Rot. Bonds3

About 4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine

4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine (PubChem CID 17035760) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine
PubChem CID17035760
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine
SMILESCc1cc2nc(Nc3nc4c(c(-c5ccccc5)n3)CCCC4)nc(C)c2cc1C
InChIInChI=1S/C25H25N5/c1-15-13-20-17(3)26-24(28-22(20)14-16(15)2)30-25-27-21-12-8-7-11-19(21)23(29-25)18-9-5-4-6-10-18/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,26,27,28,29,30)
InChIKeyYKEAUUSXHFXXBI-UHFFFAOYSA-N
XLogP5.63
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine with MolForge

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Related Compounds

2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 6426041
2-(3,4-dimethylphenyl)-3-phenyl-5,6,7,8-tetrahydroquinoxaline
CID 4849021
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135435517
2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 662203
(6,7-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methanol
CID 82450980
2-(1-methylcyclobutyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 170558621
8-methyl-4-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135030288
2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 122224204
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine
CID 90254100
6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine
CID 782171
3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
CID 146618854

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine?
The IUPAC name of 4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine (CID 17035760) is 4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine.
What is the SMILES notation for 4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine?
The canonical SMILES for 4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine is Cc1cc2nc(Nc3nc4c(c(-c5ccccc5)n3)CCCC4)nc(C)c2cc1C.
What is the InChIKey of 4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine?
The InChIKey is YKEAUUSXHFXXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-15-13-20-17(3)26-24(28-22(20)14-16(15)2)30-25-27-21-12-8-7-11-19(21)23(29-25)18-9-5-4-6-10-18/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,26,27,28,29,30).
What are the key properties of 4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine?
4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine has a molecular weight of 395.51 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine is sourced from PubChem (CID 17035760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).