N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine

C30H29N5O3 — CID 169223003

IUPACN-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(OCCN4CCOCC4)cc23)ccc1Oc1cccc2cnccc12
InChIInChI=1S/C30H29N5O3/c1-21-17-23(5-8-28(21)38-29-4-2-3-22-19-31-10-9-25(22)29)34-30-26-18-24(6-7-27(26)32-20-33-30)37-16-13-35-11-14-36-15-12-35/h2-10,17-20H,11-16H2,1H3,(H,32,33,34)
InChIKeyCKHOWVBBFNMTAH-UHFFFAOYSA-N
MW507.59 g/mol
LogP5.73
Rot. Bonds8

About N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine

N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine (PubChem CID 169223003) has the molecular formula C30H29N5O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine
PubChem CID169223003
Molecular FormulaC30H29N5O3
Molecular Weight507.59 g/mol
Exact Mass507.23
IUPAC NameN-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(OCCN4CCOCC4)cc23)ccc1Oc1cccc2cnccc12
InChIInChI=1S/C30H29N5O3/c1-21-17-23(5-8-28(21)38-29-4-2-3-22-19-31-10-9-25(22)29)34-30-26-18-24(6-7-27(26)32-20-33-30)37-16-13-35-11-14-36-15-12-35/h2-10,17-20H,11-16H2,1H3,(H,32,33,34)
InChIKeyCKHOWVBBFNMTAH-UHFFFAOYSA-N
XLogP5.73
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine with MolForge

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Related Compounds

N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine
CID 169222949
N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine
CID 169222954
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine
CID 58140046
N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 58139957
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 24737854
(3R)-1-[2-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxyethyl]pyrrolidin-3-ol
CID 58139868
N-(4-isoquinolin-8-yloxy-3-methylphenyl)-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
CID 169222977
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109
N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine
CID 58139893
7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 170088513
6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 69248088
N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537181

Frequently Asked Questions

What is the IUPAC name of N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine?
The IUPAC name of N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine (CID 169223003) is N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine?
The canonical SMILES for N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine is Cc1cc(Nc2ncnc3ccc(OCCN4CCOCC4)cc23)ccc1Oc1cccc2cnccc12.
What is the InChIKey of N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine?
The InChIKey is CKHOWVBBFNMTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3/c1-21-17-23(5-8-28(21)38-29-4-2-3-22-19-31-10-9-25(22)29)34-30-26-18-24(6-7-27(26)32-20-33-30)37-16-13-35-11-14-36-15-12-35/h2-10,17-20H,11-16H2,1H3,(H,32,33,34).
What are the key properties of N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine?
N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine has a molecular weight of 507.59 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine is sourced from PubChem (CID 169223003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).