N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide

C32H36N6O4 — CID 44532804

IUPACN-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide
SMILESCOc1cc2nc(N3CCC(CNC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5)cc4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C32H36N6O4/c1-37(2)31(40)24-11-7-22(8-12-24)21-5-9-23(10-6-21)30(39)34-19-20-13-15-38(16-14-20)32-35-26-18-28(42-4)27(41-3)17-25(26)29(33)36-32/h5-12,17-18,20H,13-16,19H2,1-4H3,(H,34,39)(H2,33,35,36)
InChIKeyVFMBWJNCHGLVBQ-UHFFFAOYSA-N
MW568.68 g/mol
LogP4.24
Rot. Bonds8

About N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide

N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide (PubChem CID 44532804) has the molecular formula C32H36N6O4 and a molecular weight of 568.68 g/mol. Its IUPAC name is N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide
PubChem CID44532804
Molecular FormulaC32H36N6O4
Molecular Weight568.68 g/mol
Exact Mass568.28
IUPAC NameN-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide
SMILESCOc1cc2nc(N3CCC(CNC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5)cc4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C32H36N6O4/c1-37(2)31(40)24-11-7-22(8-12-24)21-5-9-23(10-6-21)30(39)34-19-20-13-15-38(16-14-20)32-35-26-18-28(42-4)27(41-3)17-25(26)29(33)36-32/h5-12,17-18,20H,13-16,19H2,1-4H3,(H,34,39)(H2,33,35,36)
InChIKeyVFMBWJNCHGLVBQ-UHFFFAOYSA-N
XLogP4.24
TPSA122.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.68
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide with MolForge

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Related Compounds

Tandutinib
CID 3038522
Lotamilast
CID 24864553
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 25150857
N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
CID 137348638
Buquineran
CID 71953
Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(1-oxo-3-phenyl-2-propenyl)-
CID 6447063
Tasurgratinib
CID 78323434
Rec 15/2615
CID 9891980
2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
CID 615754
4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)quinazoline
CID 9914412
1-Piperazinecarboxamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-
CID 3061443
N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]benzamide
CID 23646072

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide?
The IUPAC name of N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide (CID 44532804) is N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide is COc1cc2nc(N3CCC(CNC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5)cc4)CC3)nc(N)c2cc1OC.
What is the InChIKey of N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide?
The InChIKey is VFMBWJNCHGLVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O4/c1-37(2)31(40)24-11-7-22(8-12-24)21-5-9-23(10-6-21)30(39)34-19-20-13-15-38(16-14-20)32-35-26-18-28(42-4)27(41-3)17-25(26)29(33)36-32/h5-12,17-18,20H,13-16,19H2,1-4H3,(H,34,39)(H2,33,35,36).
What are the key properties of N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide?
N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide has a molecular weight of 568.68 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-[4-(dimethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 44532804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).