4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide

C20H24N6O2 — CID 70748957

IUPAC4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)NCc1cc2n(n1)CCCNC2
InChIInChI=1S/C20H24N6O2/c27-19(22-12-15-11-16-13-21-8-4-10-26(16)24-15)7-3-9-25-14-23-18-6-2-1-5-17(18)20(25)28/h1-2,5-6,11,14,21H,3-4,7-10,12-13H2,(H,22,27)
InChIKeyXCRCJPPCRKEUGQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.18
Rot. Bonds6

About 4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide

4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide (PubChem CID 70748957) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide
PubChem CID70748957
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)NCc1cc2n(n1)CCCNC2
InChIInChI=1S/C20H24N6O2/c27-19(22-12-15-11-16-13-21-8-4-10-26(16)24-15)7-3-9-25-14-23-18-6-2-1-5-17(18)20(25)28/h1-2,5-6,11,14,21H,3-4,7-10,12-13H2,(H,22,27)
InChIKeyXCRCJPPCRKEUGQ-UHFFFAOYSA-N
XLogP1.18
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-chlorophenoxy)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide;hydrochloride
CID 154895981
3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462556
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 42958854
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-[(1-benzylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70711181
4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 17419592
N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 29292801
3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
4-chloro-N-[2-[4-(4-oxoquinazolin-3-yl)butanoylamino]ethyl]benzamide
CID 30753783
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 30215788
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122263906

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide?
The IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide (CID 70748957) is 4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide?
The canonical SMILES for 4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide is O=C(CCCn1cnc2ccccc2c1=O)NCc1cc2n(n1)CCCNC2.
What is the InChIKey of 4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide?
The InChIKey is XCRCJPPCRKEUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c27-19(22-12-15-11-16-13-21-8-4-10-26(16)24-15)7-3-9-25-14-23-18-6-2-1-5-17(18)20(25)28/h1-2,5-6,11,14,21H,3-4,7-10,12-13H2,(H,22,27).
What are the key properties of 4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide?
4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide has a molecular weight of 380.45 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide is sourced from PubChem (CID 70748957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).