N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide

C22H21FN4O3 — CID 30804576

IUPACN-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)Nc1ccc(F)c(NC(=O)C2CC2)c1
InChIInChI=1S/C22H21FN4O3/c23-17-10-9-15(12-19(17)26-21(29)14-7-8-14)25-20(28)6-3-11-27-13-24-18-5-2-1-4-16(18)22(27)30/h1-2,4-5,9-10,12-14H,3,6-8,11H2,(H,25,28)(H,26,29)
InChIKeySCEAHCYOLQTHQF-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.30
Rot. Bonds7

About N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide

N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 30804576) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide
PubChem CID30804576
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC NameN-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)Nc1ccc(F)c(NC(=O)C2CC2)c1
InChIInChI=1S/C22H21FN4O3/c23-17-10-9-15(12-19(17)26-21(29)14-7-8-14)25-20(28)6-3-11-27-13-24-18-5-2-1-4-16(18)22(27)30/h1-2,4-5,9-10,12-14H,3,6-8,11H2,(H,25,28)(H,26,29)
InChIKeySCEAHCYOLQTHQF-UHFFFAOYSA-N
XLogP3.30
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 4911549
N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 46666719
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761
N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide
CID 4904289
6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 4899813
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]-6-(4-oxoquinazolin-3-yl)hexanamide
CID 71826606
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 4911915

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide (CID 30804576) is N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide is O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc(F)c(NC(=O)C2CC2)c1.
What is the InChIKey of N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is SCEAHCYOLQTHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c23-17-10-9-15(12-19(17)26-21(29)14-7-8-14)25-20(28)6-3-11-27-13-24-18-5-2-1-4-16(18)22(27)30/h1-2,4-5,9-10,12-14H,3,6-8,11H2,(H,25,28)(H,26,29).
What are the key properties of N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide?
N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 408.43 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 30804576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).