N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide

C19H25N3O3 — CID 91790449

IUPACN-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESCCC(NC(=O)CCCn1cnc2ccccc2c1=O)C1CC(O)C1
InChIInChI=1S/C19H25N3O3/c1-2-16(13-10-14(23)11-13)21-18(24)8-5-9-22-12-20-17-7-4-3-6-15(17)19(22)25/h3-4,6-7,12-14,16,23H,2,5,8-11H2,1H3,(H,21,24)
InChIKeyISWJPCFKIMKAHO-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.84
Rot. Bonds7

About N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide

N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 91790449) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID91790449
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESCCC(NC(=O)CCCn1cnc2ccccc2c1=O)C1CC(O)C1
InChIInChI=1S/C19H25N3O3/c1-2-16(13-10-14(23)11-13)21-18(24)8-5-9-22-12-20-17-7-4-3-6-15(17)19(22)25/h3-4,6-7,12-14,16,23H,2,5,8-11H2,1H3,(H,21,24)
InChIKeyISWJPCFKIMKAHO-UHFFFAOYSA-N
XLogP1.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 51873542
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 51951513
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 91636761
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 46414369
N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 46662190
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35246626
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27146493
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 17419592

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide (CID 91790449) is N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide is CCC(NC(=O)CCCn1cnc2ccccc2c1=O)C1CC(O)C1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is ISWJPCFKIMKAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-16(13-10-14(23)11-13)21-18(24)8-5-9-22-12-20-17-7-4-3-6-15(17)19(22)25/h3-4,6-7,12-14,16,23H,2,5,8-11H2,1H3,(H,21,24).
What are the key properties of N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide?
N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 343.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 91790449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).