N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide

C23H29N5O4 — CID 55784153

IUPACN-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
SMILESCCN(CC)c1ccc(NC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)cn1
InChIInChI=1S/C23H29N5O4/c1-5-27(6-2)21-10-9-16(14-24-21)26-22(29)8-7-11-28-15-25-18-13-20(32-4)19(31-3)12-17(18)23(28)30/h9-10,12-15H,5-8,11H2,1-4H3,(H,26,29)
InChIKeyXVMZFLJEWPCODS-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.07
Rot. Bonds10

About N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide

N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide (PubChem CID 55784153) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
PubChem CID55784153
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
SMILESCCN(CC)c1ccc(NC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)cn1
InChIInChI=1S/C23H29N5O4/c1-5-27(6-2)21-10-9-16(14-24-21)26-22(29)8-7-11-28-15-25-18-13-20(32-4)19(31-3)12-17(18)23(28)30/h9-10,12-15H,5-8,11H2,1-4H3,(H,26,29)
InChIKeyXVMZFLJEWPCODS-UHFFFAOYSA-N
XLogP3.07
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]butanamide
CID 55566505
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 46680595
methyl 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 39377823
4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39377637
methyl 3-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]-4-fluorobenzoate
CID 46519363
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 46520770
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 55456627
N-(4-acetyl-1,3-thiazol-2-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55456466
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 51276831
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(1H-indazol-7-yl)butanamide
CID 55547797
N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46558346
N-[6-(diethylamino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113014574

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide (CID 55784153) is N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide is CCN(CC)c1ccc(NC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide?
The InChIKey is XVMZFLJEWPCODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-5-27(6-2)21-10-9-16(14-24-21)26-22(29)8-7-11-28-15-25-18-13-20(32-4)19(31-3)12-17(18)23(28)30/h9-10,12-15H,5-8,11H2,1-4H3,(H,26,29).
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide?
N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide has a molecular weight of 439.52 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 55784153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).