3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide

C15H21N5O — CID 106918473

IUPAC3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide
SMILESCCNc1nc(N(C)CCC(=O)NC)c2ccccc2n1
InChIInChI=1S/C15H21N5O/c1-4-17-15-18-12-8-6-5-7-11(12)14(19-15)20(3)10-9-13(21)16-2/h5-8H,4,9-10H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyGKFFQTUIMDUMBI-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.63
Rot. Bonds6

About 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide

3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide (PubChem CID 106918473) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide
PubChem CID106918473
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide
SMILESCCNc1nc(N(C)CCC(=O)NC)c2ccccc2n1
InChIInChI=1S/C15H21N5O/c1-4-17-15-18-12-8-6-5-7-11(12)14(19-15)20(3)10-9-13(21)16-2/h5-8H,4,9-10H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyGKFFQTUIMDUMBI-UHFFFAOYSA-N
XLogP1.63
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80776501
2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine
CID 80776135
2-N-ethyl-4-N,4-N-dipropylquinazoline-2,4-diamine
CID 80763784
4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid
CID 106916046
2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine
CID 80793521
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine
CID 80774533
4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine
CID 80754270
2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide
CID 80803173
2-[(2-hydrazinylquinazolin-4-yl)-methylamino]ethanol
CID 80943316
2-N,4-N-diethyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 80776424
1-[ethyl-[2-(ethylamino)quinazolin-4-yl]amino]-2-methylpropan-2-ol
CID 80835951
methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide (CID 106918473) is 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide is CCNc1nc(N(C)CCC(=O)NC)c2ccccc2n1.
What is the InChIKey of 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide?
The InChIKey is GKFFQTUIMDUMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-17-15-18-12-8-6-5-7-11(12)14(19-15)20(3)10-9-13(21)16-2/h5-8H,4,9-10H2,1-3H3,(H,16,21)(H,17,18,19).
What are the key properties of 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide?
3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide has a molecular weight of 287.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106918473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).