3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide

C29H30N4O5 — CID 11214463

IUPAC3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide
SMILESCOc1ccc(CCOc2nc(N3CCOCC3)c3cc(-c4cccc(C(N)=O)c4)ccc3n2)cc1OC
InChIInChI=1S/C29H30N4O5/c1-35-25-9-6-19(16-26(25)36-2)10-13-38-29-31-24-8-7-21(20-4-3-5-22(17-20)27(30)34)18-23(24)28(32-29)33-11-14-37-15-12-33/h3-9,16-18H,10-15H2,1-2H3,(H2,30,34)
InChIKeyKPNGSFSGJKDOHH-UHFFFAOYSA-N
MW514.58 g/mol
LogP3.87
Rot. Bonds9

About 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide

3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide (PubChem CID 11214463) has the molecular formula C29H30N4O5 and a molecular weight of 514.58 g/mol. Its IUPAC name is 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide.

Molecular Properties

Compound Name3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide
PubChem CID11214463
Molecular FormulaC29H30N4O5
Molecular Weight514.58 g/mol
Exact Mass514.22
IUPAC Name3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide
SMILESCOc1ccc(CCOc2nc(N3CCOCC3)c3cc(-c4cccc(C(N)=O)c4)ccc3n2)cc1OC
InChIInChI=1S/C29H30N4O5/c1-35-25-9-6-19(16-26(25)36-2)10-13-38-29-31-24-8-7-21(20-4-3-5-22(17-20)27(30)34)18-23(24)28(32-29)33-11-14-37-15-12-33/h3-9,16-18H,10-15H2,1-2H3,(H2,30,34)
InChIKeyKPNGSFSGJKDOHH-UHFFFAOYSA-N
XLogP3.87
TPSA109.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)quinazoline
CID 9914412
(4aS,8aR)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
CID 137700768
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(phenylamino)quinoline-4-carboxamide
CID 4147575
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[(dimethylamino)methyl]-N-methylbenzamide
CID 10097792
[(4aR,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-phenylmethanone
CID 44428851
(2,4-Diaminoquinazolin-6-yl)methyl 3,4,5-trimethoxybenzoate
CID 487406
(2,4-Diaminoquinazolin-6-yl)methyl 3,4-dimethoxybenzoate
CID 487408
4-Amino-6,7-dimethoxy-2-[4-(2-benzoylacetyl)-1-piperazinyl]-quinazoline
CID 9867616
1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazin-1-yl]-4-phenyl-butane-1,4-dione
CID 10575494
2-(4-Benzoylpiperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline
CID 10691966
1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazin-1-yl]-2,2-diphenyl-ethanone
CID 10767175
[4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 14423387

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide?
The IUPAC name of 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide (CID 11214463) is 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide.
What is the SMILES notation for 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide?
The canonical SMILES for 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide is COc1ccc(CCOc2nc(N3CCOCC3)c3cc(-c4cccc(C(N)=O)c4)ccc3n2)cc1OC.
What is the InChIKey of 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide?
The InChIKey is KPNGSFSGJKDOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O5/c1-35-25-9-6-19(16-26(25)36-2)10-13-38-29-31-24-8-7-21(20-4-3-5-22(17-20)27(30)34)18-23(24)28(32-29)33-11-14-37-15-12-33/h3-9,16-18H,10-15H2,1-2H3,(H2,30,34).
What are the key properties of 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide?
3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide has a molecular weight of 514.58 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide is sourced from PubChem (CID 11214463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).