5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

C13H19N3O — CID 83861998

IUPAC5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESNCCC1CCCc2[nH]c(=O)nc(C3CC3)c21
InChIInChI=1S/C13H19N3O/c14-7-6-8-2-1-3-10-11(8)12(9-4-5-9)16-13(17)15-10/h8-9H,1-7,14H2,(H,15,16,17)
InChIKeyNERWLCNIBBHUKX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.42
Rot. Bonds3

About 5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 83861998) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID83861998
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESNCCC1CCCc2[nH]c(=O)nc(C3CC3)c21
InChIInChI=1S/C13H19N3O/c14-7-6-8-2-1-3-10-11(8)12(9-4-5-9)16-13(17)15-10/h8-9H,1-7,14H2,(H,15,16,17)
InChIKeyNERWLCNIBBHUKX-UHFFFAOYSA-N
XLogP1.42
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83861720
5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83861742
5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83861735
2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine
CID 83912829
4-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one
CID 83880356
2-(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-5-yl)ethanamine
CID 83862019
5-(cyclopropylmethyl)-3-hydrazinyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
CID 130303341
2-[3-(phenoxymethyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]ethanamine
CID 82593014
(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine
CID 83861890
2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine
CID 83875498
2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 82076847
8-(2-aminoethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 83878214

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 83861998) is 5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is NCCC1CCCc2[nH]c(=O)nc(C3CC3)c21.
What is the InChIKey of 5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is NERWLCNIBBHUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-7-6-8-2-1-3-10-11(8)12(9-4-5-9)16-13(17)15-10/h8-9H,1-7,14H2,(H,15,16,17).
What are the key properties of 5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 83861998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).