8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine

C18H14ClN3 — CID 69169199

IUPAC8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine
SMILESNc1nc2c(c(-c3ccccc3)n1)-c1ccc(Cl)cc1CC2
InChIInChI=1S/C18H14ClN3/c19-13-7-8-14-12(10-13)6-9-15-16(14)17(22-18(20)21-15)11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H2,20,21,22)
InChIKeyNZGKMDZQEKHPET-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.14
Rot. Bonds1

About 8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine

8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine (PubChem CID 69169199) has the molecular formula C18H14ClN3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine.

Molecular Properties

Compound Name8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine
PubChem CID69169199
Molecular FormulaC18H14ClN3
Molecular Weight307.78 g/mol
Exact Mass307.09
IUPAC Name8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine
SMILESNc1nc2c(c(-c3ccccc3)n1)-c1ccc(Cl)cc1CC2
InChIInChI=1S/C18H14ClN3/c19-13-7-8-14-12(10-13)6-9-15-16(14)17(22-18(20)21-15)11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H2,20,21,22)
InChIKeyNZGKMDZQEKHPET-UHFFFAOYSA-N
XLogP4.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine?
The IUPAC name of 8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine (CID 69169199) is 8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine.
What is the SMILES notation for 8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine?
The canonical SMILES for 8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine is Nc1nc2c(c(-c3ccccc3)n1)-c1ccc(Cl)cc1CC2.
What is the InChIKey of 8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine?
The InChIKey is NZGKMDZQEKHPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3/c19-13-7-8-14-12(10-13)6-9-15-16(14)17(22-18(20)21-15)11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H2,20,21,22).
What are the key properties of 8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine?
8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine has a molecular weight of 307.78 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine is sourced from PubChem (CID 69169199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).