sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid

C19H15N5NaO2+ — CID 19392337

IUPACsodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1.[Na+]
InChIInChI=1S/C19H15N5O2.Na/c25-18(26)14-6-7-16-15(10-14)17(21-11-13-4-2-1-3-5-13)23-19(22-16)24-9-8-20-12-24;/h1-10,12H,11H2,(H,25,26)(H,21,22,23);/q;+1
InChIKeyVHPZAOUPCPKRFY-UHFFFAOYSA-N
MW368.35 g/mol
LogP0.13
Rot. Bonds5

About sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid

sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid (PubChem CID 19392337) has the molecular formula C19H15N5NaO2+ and a molecular weight of 368.35 g/mol. Its IUPAC name is sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid.

Molecular Properties

Compound Namesodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid
PubChem CID19392337
Molecular FormulaC19H15N5NaO2+
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Namesodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1.[Na+]
InChIInChI=1S/C19H15N5O2.Na/c25-18(26)14-6-7-16-15(10-14)17(21-11-13-4-2-1-3-5-13)23-19(22-16)24-9-8-20-12-24;/h1-10,12H,11H2,(H,25,26)(H,21,22,23);/q;+1
InChIKeyVHPZAOUPCPKRFY-UHFFFAOYSA-N
XLogP0.13
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide
CID 19392238
N-benzyl-2-imidazol-1-yl-6-nitroquinazolin-4-amine;hydrochloride
CID 19392308
N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine
CID 22080698
2-imidazol-1-ylquinazoline-4-carboxamide
CID 172628387
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
ethyl 4-(benzylamino)-2-imidazol-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylate
CID 19392172
3-[[(2-chloroquinazolin-4-yl)amino]methyl]benzoic acid
CID 173357452
2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol
CID 19392307
6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine
CID 19392203
2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine
CID 19392342
N-benzyl-6-chloro-2-(imidazol-1-ylmethyl)quinazolin-4-amine;dihydrochloride
CID 19392239
2-(benzylamino)-1,3-benzothiazole-6-carboxylic acid
CID 82549782

Frequently Asked Questions

What is the IUPAC name of sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid?
The IUPAC name of sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid (CID 19392337) is sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid.
What is the SMILES notation for sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid?
The canonical SMILES for sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid is O=C(O)c1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1.[Na+].
What is the InChIKey of sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid?
The InChIKey is VHPZAOUPCPKRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2.Na/c25-18(26)14-6-7-16-15(10-14)17(21-11-13-4-2-1-3-5-13)23-19(22-16)24-9-8-20-12-24;/h1-10,12H,11H2,(H,25,26)(H,21,22,23);/q;+1.
What are the key properties of sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid?
sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid has a molecular weight of 368.35 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid is sourced from PubChem (CID 19392337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).