6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine

C31H29N5O4 — CID 117087831

IUPAC6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine
SMILESCOc1cc2nc(-c3ccc(N4CCOCC4)nc3)nc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C31H29N5O4/c1-37-27-18-25-26(19-28(27)38-2)34-30(21-8-13-29(32-20-21)36-14-16-39-17-15-36)35-31(25)33-22-9-11-24(12-10-22)40-23-6-4-3-5-7-23/h3-13,18-20H,14-17H2,1-2H3,(H,33,34,35)
InChIKeyRKZMKGQKJXMBBN-UHFFFAOYSA-N
MW535.60 g/mol
LogP6.08
Rot. Bonds8

About 6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine

6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine (PubChem CID 117087831) has the molecular formula C31H29N5O4 and a molecular weight of 535.60 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine
PubChem CID117087831
Molecular FormulaC31H29N5O4
Molecular Weight535.60 g/mol
Exact Mass535.22
IUPAC Name6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine
SMILESCOc1cc2nc(-c3ccc(N4CCOCC4)nc3)nc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C31H29N5O4/c1-37-27-18-25-26(19-28(27)38-2)34-30(21-8-13-29(32-20-21)36-14-16-39-17-15-36)35-31(25)33-22-9-11-24(12-10-22)40-23-6-4-3-5-7-23/h3-13,18-20H,14-17H2,1-2H3,(H,33,34,35)
InChIKeyRKZMKGQKJXMBBN-UHFFFAOYSA-N
XLogP6.08
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.60
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 117088726
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 117084289
2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine
CID 117091578
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 22693013
2-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 90920909
6,7-dimethoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171350702
7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 70977016
2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117079834
6-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109153445
5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138008
N-(4-phenoxyphenyl)-2-phenylquinazolin-4-amine
CID 11567274

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine (CID 117087831) is 6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine is COc1cc2nc(-c3ccc(N4CCOCC4)nc3)nc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine?
The InChIKey is RKZMKGQKJXMBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O4/c1-37-27-18-25-26(19-28(27)38-2)34-30(21-8-13-29(32-20-21)36-14-16-39-17-15-36)35-31(25)33-22-9-11-24(12-10-22)40-23-6-4-3-5-7-23/h3-13,18-20H,14-17H2,1-2H3,(H,33,34,35).
What are the key properties of 6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine?
6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine has a molecular weight of 535.60 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 117087831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).