N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine

C30H26ClN5O2 — CID 169222954

IUPACN-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine
SMILESClc1cc(Nc2ncnc3ccc(/C=C/CN4CCOCC4)cc23)ccc1Oc1cccc2ccncc12
InChIInChI=1S/C30H26ClN5O2/c31-26-18-23(7-9-29(26)38-28-5-1-4-22-10-11-32-19-25(22)28)35-30-24-17-21(6-8-27(24)33-20-34-30)3-2-12-36-13-15-37-16-14-36/h1-11,17-20H,12-16H2,(H,33,34,35)/b3-2+
InChIKeyJMHYTIPDGYKOSP-NSCUHMNNSA-N
MW524.02 g/mol
LogP6.71
Rot. Bonds7

About N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine

N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine (PubChem CID 169222954) has the molecular formula C30H26ClN5O2 and a molecular weight of 524.02 g/mol. Its IUPAC name is N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine
PubChem CID169222954
Molecular FormulaC30H26ClN5O2
Molecular Weight524.02 g/mol
Exact Mass523.18
IUPAC NameN-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine
SMILESClc1cc(Nc2ncnc3ccc(/C=C/CN4CCOCC4)cc23)ccc1Oc1cccc2ccncc12
InChIInChI=1S/C30H26ClN5O2/c31-26-18-23(7-9-29(26)38-28-5-1-4-22-10-11-32-19-25(22)28)35-30-24-17-21(6-8-27(24)33-20-34-30)3-2-12-36-13-15-37-16-14-36/h1-11,17-20H,12-16H2,(H,33,34,35)/b3-2+
InChIKeyJMHYTIPDGYKOSP-NSCUHMNNSA-N
XLogP6.71
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.02
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine
CID 169223003
N-[4-[3-chloro-4-(3-methylphenoxy)anilino]quinazolin-6-yl]-2-morpholin-4-ylacetamide
CID 162674719
N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine
CID 169222949
(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 22484233
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 24737854
N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine
CID 57003876
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine
CID 71663312
1-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7,8-dihydropyrimido[5,4-g][1,4]benzoxazin-6-yl]-4-morpholin-4-ylbut-2-en-1-one
CID 78122170
N-(4-isoquinolin-8-yloxy-3-methylphenyl)-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
CID 169222977
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]-3-[(2-morpholin-4-ylacetyl)amino]propanamide
CID 11657235
N-[4-(3-chloro-4-pyridin-2-yloxyanilino)pyrido[3,4-d]pyrimidin-6-yl]-7-morpholin-4-ylhept-2-ynamide
CID 18535775
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[3-(2-morpholin-4-ylethyl)pyrrol-1-yl]quinazolin-4-amine
CID 141179850

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine (CID 169222954) is N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine is Clc1cc(Nc2ncnc3ccc(/C=C/CN4CCOCC4)cc23)ccc1Oc1cccc2ccncc12.
What is the InChIKey of N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine?
The InChIKey is JMHYTIPDGYKOSP-NSCUHMNNSA-N. The full InChI is InChI=1S/C30H26ClN5O2/c31-26-18-23(7-9-29(26)38-28-5-1-4-22-10-11-32-19-25(22)28)35-30-24-17-21(6-8-27(24)33-20-34-30)3-2-12-36-13-15-37-16-14-36/h1-11,17-20H,12-16H2,(H,33,34,35)/b3-2+.
What are the key properties of N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine?
N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine has a molecular weight of 524.02 g/mol, XLogP of 6.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine is sourced from PubChem (CID 169222954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).