2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one

C15H22N4O — CID 137062638

IUPAC2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one
SMILESCCC(C)N(CCN)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H22N4O/c1-3-11(2)19(9-8-16)10-14-17-13-7-5-4-6-12(13)15(20)18-14/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,18,20)
InChIKeyCBTLSROCVOQNCJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.48
Rot. Bonds6

About 2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one

2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 137062638) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one
PubChem CID137062638
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one
SMILESCCC(C)N(CCN)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H22N4O/c1-3-11(2)19(9-8-16)10-14-17-13-7-5-4-6-12(13)15(20)18-14/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,18,20)
InChIKeyCBTLSROCVOQNCJ-UHFFFAOYSA-N
XLogP1.48
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
2-[[(3,5-difluoro-4-pyridinyl)methyl-propan-2-ylamino]methyl]-3H-quinazolin-4-one
CID 138027653
N-butan-2-yl-2-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]prop-2-enamide
CID 166417321
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
2-[[methyl-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135854712
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide
CID 135962216
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
2-[[2-(2,5-dichlorophenyl)sulfinylethyl-propan-2-ylamino]methyl]-3H-quinazolin-4-one
CID 136902475
3-bromo-N-butan-2-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135687472

Frequently Asked Questions

What is the IUPAC name of 2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one (CID 137062638) is 2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one is CCC(C)N(CCN)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is CBTLSROCVOQNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-11(2)19(9-8-16)10-14-17-13-7-5-4-6-12(13)15(20)18-14/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,18,20).
What are the key properties of 2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one?
2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 274.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-aminoethyl(butan-2-yl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137062638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).