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

C19H20ClN3O — CID 23632000

IUPAC6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine
SMILESCC(C)Oc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C19H20ClN3O/c1-13(2)24-16-6-3-14(4-7-16)9-10-21-19-17-11-15(20)5-8-18(17)22-12-23-19/h3-8,11-13H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyPMYFSXJZGIPJMO-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.72
Rot. Bonds6

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

6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine (PubChem CID 23632000) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine
PubChem CID23632000
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine
SMILESCC(C)Oc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C19H20ClN3O/c1-13(2)24-16-6-3-14(4-7-16)9-10-21-19-17-11-15(20)5-8-18(17)22-12-23-19/h3-8,11-13H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyPMYFSXJZGIPJMO-UHFFFAOYSA-N
XLogP4.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine
CID 23631998
6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine
CID 19751395
6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine
CID 67619024
4-N-[2-[4-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981790
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
5-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 23631985
4-N-[2-(4-pyridin-4-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981848
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 70854812
N-tert-butyl-6-chloroquinazolin-4-amine
CID 119092250
N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine;6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;methane
CID 160516491

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine (CID 23632000) is 6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine is CC(C)Oc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine?
The InChIKey is PMYFSXJZGIPJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-13(2)24-16-6-3-14(4-7-16)9-10-21-19-17-11-15(20)5-8-18(17)22-12-23-19/h3-8,11-13H,9-10H2,1-2H3,(H,21,22,23).
What are the key properties of 6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine?
6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine has a molecular weight of 341.84 g/mol, XLogP of 4.72, 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-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 23632000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).