N-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine

C31H27ClN4O2 — CID 71663849

IUPACN-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESClc1cc(Nc2ncnc3ccc(-c4cccc(N5CCOCC5)c4)cc23)ccc1OCc1ccccc1
InChIInChI=1S/C31H27ClN4O2/c32-28-19-25(10-12-30(28)38-20-22-5-2-1-3-6-22)35-31-27-18-24(9-11-29(27)33-21-34-31)23-7-4-8-26(17-23)36-13-15-37-16-14-36/h1-12,17-19,21H,13-16,20H2,(H,33,34,35)
InChIKeyPHDTYGKOIJFCIT-UHFFFAOYSA-N
MW523.04 g/mol
LogP7.11
Rot. Bonds7

About N-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine

N-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine (PubChem CID 71663849) has the molecular formula C31H27ClN4O2 and a molecular weight of 523.04 g/mol. Its IUPAC name is N-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine
PubChem CID71663849
Molecular FormulaC31H27ClN4O2
Molecular Weight523.04 g/mol
Exact Mass522.18
IUPAC NameN-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESClc1cc(Nc2ncnc3ccc(-c4cccc(N5CCOCC5)c4)cc23)ccc1OCc1ccccc1
InChIInChI=1S/C31H27ClN4O2/c32-28-19-25(10-12-30(28)38-20-22-5-2-1-3-6-22)35-31-27-18-24(9-11-29(27)33-21-34-31)23-7-4-8-26(17-23)36-13-15-37-16-14-36/h1-12,17-19,21H,13-16,20H2,(H,33,34,35)
InChIKeyPHDTYGKOIJFCIT-UHFFFAOYSA-N
XLogP7.11
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.04
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Allitinib
CID 24739943
Epertinib
CID 46701811
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine
CID 23727980
(R)-N-(3-chloro-4-(pyrazin-2-ylmethoxy)phenyl)-5-(1-(dimethylamino)propan-2-yloxy)quinazolin-4-amine
CID 11751635
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide
CID 122196556
[3-Chloro-4-(3-fluoro-benzyloxy)-phenyl]-[5-(1-methyl-piperidin-4-yloxy)-quinazolin-4-yl]-amine
CID 10152238
[3-Chloro-4-(pyrazin-2-ylmethoxy)-phenyl]-[5-(1-methyl-piperidin-4-yloxy)-quinazolin-4-yl]-amine
CID 10162630
4-(3-Chloro-4-(2-pyridylmethoxy)anilino)-5-(1-methylpiperidin-4-yloxy)quinazoline
CID 10288761
4-Benzo[g]quinazolin-4-yl-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
CID 11465678
2-[(4-{[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-5-yl)oxy]acetamide
CID 11503005
N-[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-amine
CID 11547919
N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-5-(2-(pyridin-2-yl)ethynyl)pyrimidin-4-amine
CID 11597180

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine (CID 71663849) is N-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine is Clc1cc(Nc2ncnc3ccc(-c4cccc(N5CCOCC5)c4)cc23)ccc1OCc1ccccc1.
What is the InChIKey of N-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine?
The InChIKey is PHDTYGKOIJFCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClN4O2/c32-28-19-25(10-12-30(28)38-20-22-5-2-1-3-6-22)35-31-27-18-24(9-11-29(27)33-21-34-31)23-7-4-8-26(17-23)36-13-15-37-16-14-36/h1-12,17-19,21H,13-16,20H2,(H,33,34,35).
What are the key properties of N-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine?
N-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine has a molecular weight of 523.04 g/mol, XLogP of 7.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-phenylmethoxyphenyl)-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 71663849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).