trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide

C18H24N4O2 — CID 137131249

About trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide

trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 137131249) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide
• PubChem CID: 137131249
• Molecular Formula: C18H24N4O2
• Molecular Weight: 328.42 g/mol
• Exact Mass: 328.19
• IUPAC Name: trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide
• SMILES: CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CCC[C@@H]1CN
• InChI: InChI=1S/C18H24N4O2/c1-2-22(18(24)13-8-5-6-12(13)10-19)11-16-20-15-9-4-3-7-14(15)17(23)21-16/h3-4,7,9,12-13H,2,5-6,8,10-11,19H2,1H3,(H,20,21,23)/t12-,13-/m1/s1
• InChIKey: GVBHSXUWZQXNLZ-CHWSQXEVSA-N
• XLogP: 1.65
• TPSA: 92.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.42
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide?

The IUPAC name of trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide (CID 137131249) is trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide.

What is the SMILES notation for trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide?

The canonical SMILES for trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CCC[C@@H]1CN.

What is the InChIKey of trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide?

The InChIKey is GVBHSXUWZQXNLZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-22(18(24)13-8-5-6-12(13)10-19)11-16-20-15-9-4-3-7-14(15)17(23)21-16/h3-4,7,9,12-13H,2,5-6,8,10-11,19H2,1H3,(H,20,21,23)/t12-,13-/m1/s1.

What are the key properties of trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide?

trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 137131249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).