3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one

C18H18ClN3O2 — CID 22484625

IUPAC3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3cc(Cl)ccc3c(=O)n2CCCN)cc1
InChIInChI=1S/C18H18ClN3O2/c1-24-14-6-3-12(4-7-14)17-21-16-11-13(19)5-8-15(16)18(23)22(17)10-2-9-20/h3-8,11H,2,9-10,20H2,1H3
InChIKeyZSMACNHJJNKDOZ-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.07
Rot. Bonds5

About 3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one

3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 22484625) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one
PubChem CID22484625
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3cc(Cl)ccc3c(=O)n2CCCN)cc1
InChIInChI=1S/C18H18ClN3O2/c1-24-14-6-3-12(4-7-14)17-21-16-11-13(19)5-8-15(16)18(23)22(17)10-2-9-20/h3-8,11H,2,9-10,20H2,1H3
InChIKeyZSMACNHJJNKDOZ-UHFFFAOYSA-N
XLogP3.07
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one (CID 22484625) is 3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-c2nc3cc(Cl)ccc3c(=O)n2CCCN)cc1.
What is the InChIKey of 3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is ZSMACNHJJNKDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-24-14-6-3-12(4-7-14)17-21-16-11-13(19)5-8-15(16)18(23)22(17)10-2-9-20/h3-8,11H,2,9-10,20H2,1H3.
What are the key properties of 3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one?
3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 343.81 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 22484625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).