N-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide

C24H20N4O4 — CID 164624199

IUPACN-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc3ncn(Cc4ccc5c(c4)OCO5)c(=O)c3c2)cn1
InChIInChI=1S/C24H20N4O4/c1-2-23(29)27-22-8-5-17(11-25-22)16-4-6-19-18(10-16)24(30)28(13-26-19)12-15-3-7-20-21(9-15)32-14-31-20/h3-11,13H,2,12,14H2,1H3,(H,25,27,29)
InChIKeyBWRMVTFEWYRXOR-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.58
Rot. Bonds5

About N-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide

N-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide (PubChem CID 164624199) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide
PubChem CID164624199
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc3ncn(Cc4ccc5c(c4)OCO5)c(=O)c3c2)cn1
InChIInChI=1S/C24H20N4O4/c1-2-23(29)27-22-8-5-17(11-25-22)16-4-6-19-18(10-16)24(30)28(13-26-19)12-15-3-7-20-21(9-15)32-14-31-20/h3-11,13H,2,12,14H2,1H3,(H,25,27,29)
InChIKeyBWRMVTFEWYRXOR-UHFFFAOYSA-N
XLogP3.58
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide with MolForge

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Related Compounds

N-(2-Pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 591105
(3R)-3-(1,3-benzodioxol-5-yl)-2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 9892886
3-Benzo[1,3]dioxol-5-yl-2-[5-(4-methoxy-phenyl)-pyrimidin-2-yl]-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 10206649
3-Benzo[1,3]dioxol-5-yl-2-(5-pyridin-3-yl-pyrimidin-2-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11328682
2-((2-acetamidopyridin-4-yl)methylamino)-N-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)benzamide
CID 44442396
4-(1,3-Benzodioxol-5-ylmethylamino)quinazoline-8-carboxamide
CID 66763618
2-(1,3-benzodioxol-5-ylmethylamino)-N-[[3-(difluoromethyl)-4-methylphenyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)pyridine-3-carboxamide
CID 122182190
3,4,5-Trimethoxy-N-[2-[(2-pyridinylamino)carbonyl]phenyl]benzamide
CID 990988
N-(4-methylpyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 1116221
N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 3413292
4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinazoline-6-carboxylic acid amide
CID 9973407
2-(benzo[d][1,3]dioxol-5-ylmethylamino)-N-(4-phenoxyphenyl)nicotinamide
CID 10138086

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide?
The IUPAC name of N-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide (CID 164624199) is N-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(-c2ccc3ncn(Cc4ccc5c(c4)OCO5)c(=O)c3c2)cn1.
What is the InChIKey of N-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide?
The InChIKey is BWRMVTFEWYRXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-2-23(29)27-22-8-5-17(11-25-22)16-4-6-19-18(10-16)24(30)28(13-26-19)12-15-3-7-20-21(9-15)32-14-31-20/h3-11,13H,2,12,14H2,1H3,(H,25,27,29).
What are the key properties of N-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide?
N-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide has a molecular weight of 428.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-6-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 164624199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).