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

C21H20ClN5O — CID 165414875

IUPAC6-chloro-N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-amine
SMILESCN(C)c1nc(OCc2nc(-c3ccccc3)cn2C)nc2ccc(Cl)cc12
InChIInChI=1S/C21H20ClN5O/c1-26(2)20-16-11-15(22)9-10-17(16)24-21(25-20)28-13-19-23-18(12-27(19)3)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKeyUKEVZOSQRQMFBB-UHFFFAOYSA-N
MW393.88 g/mol
LogP4.33
Rot. Bonds5

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

6-chloro-N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-amine (PubChem CID 165414875) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-amine
PubChem CID165414875
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name6-chloro-N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-amine
SMILESCN(C)c1nc(OCc2nc(-c3ccccc3)cn2C)nc2ccc(Cl)cc12
InChIInChI=1S/C21H20ClN5O/c1-26(2)20-16-11-15(22)9-10-17(16)24-21(25-20)28-13-19-23-18(12-27(19)3)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKeyUKEVZOSQRQMFBB-UHFFFAOYSA-N
XLogP4.33
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-amine?
The IUPAC name of 6-chloro-N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-amine (CID 165414875) is 6-chloro-N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-amine?
The canonical SMILES for 6-chloro-N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-amine is CN(C)c1nc(OCc2nc(-c3ccccc3)cn2C)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-amine?
The InChIKey is UKEVZOSQRQMFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c1-26(2)20-16-11-15(22)9-10-17(16)24-21(25-20)28-13-19-23-18(12-27(19)3)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3.
What are the key properties of 6-chloro-N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-amine?
6-chloro-N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-amine has a molecular weight of 393.88 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-amine is sourced from PubChem (CID 165414875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).