6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine

C18H18ClN3O3 — CID 70854812

IUPAC6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc(CNc2ncnc3ccc(Cl)cc23)cc(OC)c1OC
InChIInChI=1S/C18H18ClN3O3/c1-23-15-6-11(7-16(24-2)17(15)25-3)9-20-18-13-8-12(19)4-5-14(13)21-10-22-18/h4-8,10H,9H2,1-3H3,(H,20,21,22)
InChIKeyFBOSPXZRDYTLTF-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.92
Rot. Bonds6

About 6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine

6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 70854812) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
PubChem CID70854812
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc(CNc2ncnc3ccc(Cl)cc23)cc(OC)c1OC
InChIInChI=1S/C18H18ClN3O3/c1-23-15-6-11(7-16(24-2)17(15)25-3)9-20-18-13-8-12(19)4-5-14(13)21-10-22-18/h4-8,10H,9H2,1-3H3,(H,20,21,22)
InChIKeyFBOSPXZRDYTLTF-UHFFFAOYSA-N
XLogP3.92
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine (CID 70854812) is 6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine is COc1cc(CNc2ncnc3ccc(Cl)cc23)cc(OC)c1OC.
What is the InChIKey of 6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is FBOSPXZRDYTLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-23-15-6-11(7-16(24-2)17(15)25-3)9-20-18-13-8-12(19)4-5-14(13)21-10-22-18/h4-8,10H,9H2,1-3H3,(H,20,21,22).
What are the key properties of 6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 359.81 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 70854812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).