2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide

C17H24N4O — CID 56785610

IUPAC2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCc1nc(CN(C)C(C)C(=O)NC(C)C)nc2ccccc12
InChIInChI=1S/C17H24N4O/c1-11(2)18-17(22)13(4)21(5)10-16-19-12(3)14-8-6-7-9-15(14)20-16/h6-9,11,13H,10H2,1-5H3,(H,18,22)
InChIKeyNAXVAQQAISZLQI-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.28
Rot. Bonds5

About 2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide

2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide (PubChem CID 56785610) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide
PubChem CID56785610
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCc1nc(CN(C)C(C)C(=O)NC(C)C)nc2ccccc12
InChIInChI=1S/C17H24N4O/c1-11(2)18-17(22)13(4)21(5)10-16-19-12(3)14-8-6-7-9-15(14)20-16/h6-9,11,13H,10H2,1-5H3,(H,18,22)
InChIKeyNAXVAQQAISZLQI-UHFFFAOYSA-N
XLogP2.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid
CID 119369701
(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide
CID 32727431
(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide
CID 97064350
N-cyclohexyl-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide
CID 91830643
N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 132649959
2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid
CID 21003994
(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100638766
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135886874
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid
CID 91367914
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 78701766
4-methyl-2-propylquinazoline
CID 102028335

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide (CID 56785610) is 2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide is Cc1nc(CN(C)C(C)C(=O)NC(C)C)nc2ccccc12.
What is the InChIKey of 2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is NAXVAQQAISZLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(2)18-17(22)13(4)21(5)10-16-19-12(3)14-8-6-7-9-15(14)20-16/h6-9,11,13H,10H2,1-5H3,(H,18,22).
What are the key properties of 2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide?
2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 300.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylquinazolin-2-yl)methyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 56785610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).