(2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride

C18H26ClN5O3 — CID 137050015

About (2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride

(2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride (PubChem CID 137050015) has the molecular formula C18H26ClN5O3 and a molecular weight of 395.89 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride.

Molecular Properties

• Compound Name: (2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
• PubChem CID: 137050015
• Molecular Formula: C18H26ClN5O3
• Molecular Weight: 395.89 g/mol
• Exact Mass: 395.17
• IUPAC Name: (2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
• SMILES: CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)[C@@H](N)C(C)C.Cl
• InChI: InChI=1S/C18H25N5O3.ClH/c1-4-23(15(24)9-20-18(26)16(19)11(2)3)10-14-21-13-8-6-5-7-12(13)17(25)22-14;/h5-8,11,16H,4,9-10,19H2,1-3H3,(H,20,26)(H,21,22,25);1H/t16-;/m0./s1
• InChIKey: SIIXUQFOEQDMCN-NTISSMGPSA-N
• XLogP: 0.79
• TPSA: 121.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.89
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride?

The IUPAC name of (2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride (CID 137050015) is (2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride.

What is the SMILES notation for (2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride?

The canonical SMILES for (2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)[C@@H](N)C(C)C.Cl.

What is the InChIKey of (2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride?

The InChIKey is SIIXUQFOEQDMCN-NTISSMGPSA-N. The full InChI is InChI=1S/C18H25N5O3.ClH/c1-4-23(15(24)9-20-18(26)16(19)11(2)3)10-14-21-13-8-6-5-7-12(13)17(25)22-14;/h5-8,11,16H,4,9-10,19H2,1-3H3,(H,20,26)(H,21,22,25);1H/t16-;/m0./s1.

What are the key properties of (2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride?

(2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride has a molecular weight of 395.89 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 137050015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).