6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine

C22H22ClN5 — CID 165414860

IUPAC6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine
SMILESCN(C)c1nc(CCc2nc(-c3ccccc3)cn2C)nc2ccc(Cl)cc12
InChIInChI=1S/C22H22ClN5/c1-27(2)22-17-13-16(23)9-10-18(17)24-20(26-22)11-12-21-25-19(14-28(21)3)15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3
InChIKeyWLZOIVYXSOCRCP-UHFFFAOYSA-N
MW391.91 g/mol
LogP4.53
Rot. Bonds5

About 6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine

6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine (PubChem CID 165414860) has the molecular formula C22H22ClN5 and a molecular weight of 391.91 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine
PubChem CID165414860
Molecular FormulaC22H22ClN5
Molecular Weight391.91 g/mol
Exact Mass391.16
IUPAC Name6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine
SMILESCN(C)c1nc(CCc2nc(-c3ccccc3)cn2C)nc2ccc(Cl)cc12
InChIInChI=1S/C22H22ClN5/c1-27(2)22-17-13-16(23)9-10-18(17)24-20(26-22)11-12-21-25-19(14-28(21)3)15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3
InChIKeyWLZOIVYXSOCRCP-UHFFFAOYSA-N
XLogP4.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine (CID 165414860) is 6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine is CN(C)c1nc(CCc2nc(-c3ccccc3)cn2C)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine?
The InChIKey is WLZOIVYXSOCRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5/c1-27(2)22-17-13-16(23)9-10-18(17)24-20(26-22)11-12-21-25-19(14-28(21)3)15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of 6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine?
6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine has a molecular weight of 391.91 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 165414860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).