N-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide

C19H16N5O2+ — CID 135513509

IUPACN-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1ccn2c(=O)c3ccccc3nc2[nH+]1
InChIInChI=1S/C19H15N5O2/c1-20-17(25)12-6-2-4-8-14(12)21-16-10-11-24-18(26)13-7-3-5-9-15(13)22-19(24)23-16/h2-11H,1H3,(H,20,25)(H,21,22,23)/p+1
InChIKeyBEFOWTRURNLDLE-UHFFFAOYSA-O
MW346.37 g/mol
LogP1.76
Rot. Bonds3

About N-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide

N-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide (PubChem CID 135513509) has the molecular formula C19H16N5O2+ and a molecular weight of 346.37 g/mol. Its IUPAC name is N-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide
PubChem CID135513509
Molecular FormulaC19H16N5O2+
Molecular Weight346.37 g/mol
Exact Mass346.13
IUPAC NameN-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide
SMILESCNC(=O)c1ccccc1Nc1ccn2c(=O)c3ccccc3nc2[nH+]1
InChIInChI=1S/C19H15N5O2/c1-20-17(25)12-6-2-4-8-14(12)21-16-10-11-24-18(26)13-7-3-5-9-15(13)22-19(24)23-16/h2-11H,1H3,(H,20,25)(H,21,22,23)/p+1
InChIKeyBEFOWTRURNLDLE-UHFFFAOYSA-O
XLogP1.76
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(6-oxopyrimido[2,1-b]quinazolin-2-yl)amino]benzoate
CID 876457
N-benzyl-2-[(3-bromo-6-oxopyrimido[2,1-b]quinazolin-2-yl)amino]benzamide
CID 3807063
propan-2-yl 2-[(3-methyl-6-oxopyrimido[2,1-b]quinazolin-2-yl)amino]benzoate
CID 23767985
2-[(3-bromo-6-oxopyrimido[2,1-b]quinazolin-2-yl)amino]-N-phenylbenzamide chloride
CID 21235885
N-methyl-2-(2,4,6-trimethylanilino)benzamide
CID 67997088
2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid
CID 849797
N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 46857811
N-[(3-bromophenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 46857821
6-imino-N,11-dimethyl-2-oxo-7-phenyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 4510059
N-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 143596637
6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
CID 3304664
N-methylphenazine-1-carboxamide
CID 4257706

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide?
The IUPAC name of N-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide (CID 135513509) is N-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide.
What is the SMILES notation for N-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide?
The canonical SMILES for N-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide is CNC(=O)c1ccccc1Nc1ccn2c(=O)c3ccccc3nc2[nH+]1.
What is the InChIKey of N-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide?
The InChIKey is BEFOWTRURNLDLE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H15N5O2/c1-20-17(25)12-6-2-4-8-14(12)21-16-10-11-24-18(26)13-7-3-5-9-15(13)22-19(24)23-16/h2-11H,1H3,(H,20,25)(H,21,22,23)/p+1.
What are the key properties of N-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide?
N-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide has a molecular weight of 346.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-oxopyrimido[2,1-b]quinazolin-1-ium-2-yl)amino]benzamide is sourced from PubChem (CID 135513509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).