N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide

C13H16N4O — CID 114788884

IUPACN-propan-2-yl-2-(quinazolin-2-ylamino)acetamide
SMILESCC(C)NC(=O)CNc1ncc2ccccc2n1
InChIInChI=1S/C13H16N4O/c1-9(2)16-12(18)8-15-13-14-7-10-5-3-4-6-11(10)17-13/h3-7,9H,8H2,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyPDIICCVCRATDIT-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.57
Rot. Bonds4

About N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide

N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide (PubChem CID 114788884) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(quinazolin-2-ylamino)acetamide
PubChem CID114788884
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-propan-2-yl-2-(quinazolin-2-ylamino)acetamide
SMILESCC(C)NC(=O)CNc1ncc2ccccc2n1
InChIInChI=1S/C13H16N4O/c1-9(2)16-12(18)8-15-13-14-7-10-5-3-4-6-11(10)17-13/h3-7,9H,8H2,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyPDIICCVCRATDIT-UHFFFAOYSA-N
XLogP1.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
2-anilino-N-quinazolin-2-ylacetamide
CID 174985574
N-(2-phenylpropyl)quinazolin-2-amine
CID 114789270
3-(quinazolin-2-ylamino)propane-1,2-diol
CID 114789175
N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine
CID 114788824
N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine
CID 114789025
2-(quinazolin-2-ylamino)butanedioic acid
CID 114788634
2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 103962888
4-[(quinazolin-2-ylamino)methyl]phenol
CID 114789330
quinazoline-2-carboxylate
CID 19006949
methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate
CID 114788545
3-methyl-3-(quinazolin-2-ylamino)butanamide
CID 106097327

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide?
The IUPAC name of N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide (CID 114788884) is N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide?
The canonical SMILES for N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide is CC(C)NC(=O)CNc1ncc2ccccc2n1.
What is the InChIKey of N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide?
The InChIKey is PDIICCVCRATDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(2)16-12(18)8-15-13-14-7-10-5-3-4-6-11(10)17-13/h3-7,9H,8H2,1-2H3,(H,16,18)(H,14,15,17).
What are the key properties of N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide?
N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide has a molecular weight of 244.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide is sourced from PubChem (CID 114788884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).