6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine

C18H18ClN3O — CID 23631998

IUPAC6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine
SMILESCCOc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C18H18ClN3O/c1-2-23-15-6-3-13(4-7-15)9-10-20-18-16-11-14(19)5-8-17(16)21-12-22-18/h3-8,11-12H,2,9-10H2,1H3,(H,20,21,22)
InChIKeyCCCTWRDOOCXIGU-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.34
Rot. Bonds6

About 6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine

6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine (PubChem CID 23631998) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine
PubChem CID23631998
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine
SMILESCCOc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C18H18ClN3O/c1-2-23-15-6-3-13(4-7-15)9-10-20-18-16-11-14(19)5-8-17(16)21-12-22-18/h3-8,11-12H,2,9-10H2,1H3,(H,20,21,22)
InChIKeyCCCTWRDOOCXIGU-UHFFFAOYSA-N
XLogP4.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine
CID 23632000
6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine
CID 19751395
4-N-[2-[4-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981790
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112862542
6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine
CID 67619024
6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 118916056
4-N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-diamine
CID 509543
4-N-[2-(4-pyridin-4-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981848
4-N-[2-(4-but-3-enoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981937
N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
CID 21002588
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine
CID 21002609
1-(3-chloro-4-fluorophenyl)-3-[4-[2-[(7-ethoxy-6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]urea
CID 166634091

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine (CID 23631998) is 6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine is CCOc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine?
The InChIKey is CCCTWRDOOCXIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-2-23-15-6-3-13(4-7-15)9-10-20-18-16-11-14(19)5-8-17(16)21-12-22-18/h3-8,11-12H,2,9-10H2,1H3,(H,20,21,22).
What are the key properties of 6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine?
6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine has a molecular weight of 327.82 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 23631998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).