N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide

C23H27N3O2 — CID 43019404

IUPACN-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C23H27N3O2/c1-16(2)7-6-8-17(3)25-22(27)18-11-13-19(14-12-18)26-15-24-21-10-5-4-9-20(21)23(26)28/h4-5,9-17H,6-8H2,1-3H3,(H,25,27)
InChIKeyNJECMZFUPZWGSP-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.33
Rot. Bonds7

About N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide

N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide (PubChem CID 43019404) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide
PubChem CID43019404
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C23H27N3O2/c1-16(2)7-6-8-17(3)25-22(27)18-11-13-19(14-12-18)26-15-24-21-10-5-4-9-20(21)23(26)28/h4-5,9-17H,6-8H2,1-3H3,(H,25,27)
InChIKeyNJECMZFUPZWGSP-UHFFFAOYSA-N
XLogP4.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-2-[[4-(4-oxoquinazolin-3-yl)benzoyl]amino]butanoate
CID 17464811
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide
CID 30332300
N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide
CID 24513988
N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24641669
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide
CID 24624881
N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 43912872
N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 32987474
methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate
CID 17464812
4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369967
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24512604

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide (CID 43019404) is N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide is CC(C)CCCC(C)NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide?
The InChIKey is NJECMZFUPZWGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16(2)7-6-8-17(3)25-22(27)18-11-13-19(14-12-18)26-15-24-21-10-5-4-9-20(21)23(26)28/h4-5,9-17H,6-8H2,1-3H3,(H,25,27).
What are the key properties of N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide?
N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 43019404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).