N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide

C18H25N3O2 — CID 9287364

IUPACN-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC(C)CCC[C@@H](C)NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C18H25N3O2/c1-13(2)7-6-8-14(3)20-17(22)11-21-12-19-16-10-5-4-9-15(16)18(21)23/h4-5,9-10,12-14H,6-8,11H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeySQFWHUSQLZROBX-CQSZACIVSA-N
MW315.42 g/mol
LogP2.73
Rot. Bonds7

About N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 9287364) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID9287364
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC(C)CCC[C@@H](C)NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C18H25N3O2/c1-13(2)7-6-8-14(3)20-17(22)11-21-12-19-16-10-5-4-9-15(16)18(21)23/h4-5,9-10,12-14H,6-8,11H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeySQFWHUSQLZROBX-CQSZACIVSA-N
XLogP2.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 55847584
N-(6-methylheptan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 51200315
2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 60533590
N-(6-methylheptan-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24629017
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 6352554
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 9287364) is N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide is CC(C)CCC[C@@H](C)NC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SQFWHUSQLZROBX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)7-6-8-14(3)20-17(22)11-21-12-19-16-10-5-4-9-15(16)18(21)23/h4-5,9-10,12-14H,6-8,11H2,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 9287364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).