N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine

C34H34N6O3 — CID 91268583

IUPACN-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine
SMILESCOc1cc2nc(C3=CCCC(c4ccccc4)=C3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OCCN1CCOCC1
InChIInChI=1S/C34H34N6O3/c1-41-31-21-30-28(20-32(31)43-17-14-40-12-15-42-16-13-40)34(36-27-10-11-29-26(19-27)22-35-39-29)38-33(37-30)25-9-5-8-24(18-25)23-6-3-2-4-7-23/h2-4,6-7,9-11,18-22H,5,8,12-17H2,1H3,(H,35,39)(H,36,37,38)
InChIKeyDQQSFIVOUMBUSA-UHFFFAOYSA-N
MW574.69 g/mol
LogP6.23
Rot. Bonds9

About N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine

N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine (PubChem CID 91268583) has the molecular formula C34H34N6O3 and a molecular weight of 574.69 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine
PubChem CID91268583
Molecular FormulaC34H34N6O3
Molecular Weight574.69 g/mol
Exact Mass574.27
IUPAC NameN-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine
SMILESCOc1cc2nc(C3=CCCC(c4ccccc4)=C3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OCCN1CCOCC1
InChIInChI=1S/C34H34N6O3/c1-41-31-21-30-28(20-32(31)43-17-14-40-12-15-42-16-13-40)34(36-27-10-11-29-26(19-27)22-35-39-29)38-33(37-30)25-9-5-8-24(18-25)23-6-3-2-4-7-23/h2-4,6-7,9-11,18-22H,5,8,12-17H2,1H3,(H,35,39)(H,36,37,38)
InChIKeyDQQSFIVOUMBUSA-UHFFFAOYSA-N
XLogP6.23
TPSA97.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

N-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]phenyl]pyridine-3-carboxamide
CID 25011913
2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
CID 89271177
6-[2-(dimethylamino)ethoxy]-2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine
CID 25013868
[2-[3-[4-(1H-indazol-5-ylamino)-7-methoxy-6-(2-methoxyethoxy)quinazolin-2-yl]anilino]-1-morpholin-4-yl-2-oxoethyl] 2,2,2-trifluoroacetate
CID 67134725
N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine
CID 59361960
N-(1H-indazol-5-yl)-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 58664274
2-methanimidoyl-4-N-[7-methoxy-2-(3-phenylphenyl)-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 90842997
N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892
6-[2-(dimethylamino)ethoxy]-N-(1H-indazol-5-yl)-7-methoxyquinazolin-4-amine
CID 141159368
tert-butyl 5-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)-2-(3-nitrosophenyl)quinazolin-4-yl]amino]indazole-1-carboxylate
CID 88854674
4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 59066353
4-N-[2-(3-fluoro-4-phenylphenyl)-7-methoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-yl]-2-methanimidoylbenzene-1,4-diamine
CID 143665379

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine?
The IUPAC name of N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine (CID 91268583) is N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine is COc1cc2nc(C3=CCCC(c4ccccc4)=C3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OCCN1CCOCC1.
What is the InChIKey of N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine?
The InChIKey is DQQSFIVOUMBUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N6O3/c1-41-31-21-30-28(20-32(31)43-17-14-40-12-15-42-16-13-40)34(36-27-10-11-29-26(19-27)22-35-39-29)38-33(37-30)25-9-5-8-24(18-25)23-6-3-2-4-7-23/h2-4,6-7,9-11,18-22H,5,8,12-17H2,1H3,(H,35,39)(H,36,37,38).
What are the key properties of N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine?
N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine has a molecular weight of 574.69 g/mol, XLogP of 6.23, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine is sourced from PubChem (CID 91268583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).