5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid

C22H22N4O2 — CID 168967624

IUPAC5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
SMILESCc1cn2c(Nc3cccc(C(C)(C)C)c3)nc3cc(C(=O)O)ccc3c2n1
InChIInChI=1S/C22H22N4O2/c1-13-12-26-19(23-13)17-9-8-14(20(27)28)10-18(17)25-21(26)24-16-7-5-6-15(11-16)22(2,3)4/h5-12H,1-4H3,(H,24,25)(H,27,28)
InChIKeyUERAAZDPICEBQW-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.93
Rot. Bonds3

About 5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid

5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid (PubChem CID 168967624) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
PubChem CID168967624
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
SMILESCc1cn2c(Nc3cccc(C(C)(C)C)c3)nc3cc(C(=O)O)ccc3c2n1
InChIInChI=1S/C22H22N4O2/c1-13-12-26-19(23-13)17-9-8-14(20(27)28)10-18(17)25-21(26)24-16-7-5-6-15(11-16)22(2,3)4/h5-12H,1-4H3,(H,24,25)(H,27,28)
InChIKeyUERAAZDPICEBQW-UHFFFAOYSA-N
XLogP4.93
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
CID 168967741
methyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate
CID 168967600
methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate
CID 168967689
2,5-dimethylimidazo[1,2-a]quinoline-8-carboxylic acid
CID 115043601
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
3-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzoic acid
CID 19258534
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid
CID 174186287
4-(3-methylanilino)quinazoline-7-carboxylic acid
CID 1414137
4-tert-butyl-2-(3-tert-butylanilino)benzoic acid
CID 139034527
3-tert-butyl-N-phenylaniline
CID 19803090
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The IUPAC name of 5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid (CID 168967624) is 5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid.
What is the SMILES notation for 5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The canonical SMILES for 5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid is Cc1cn2c(Nc3cccc(C(C)(C)C)c3)nc3cc(C(=O)O)ccc3c2n1.
What is the InChIKey of 5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The InChIKey is UERAAZDPICEBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-13-12-26-19(23-13)17-9-8-14(20(27)28)10-18(17)25-21(26)24-16-7-5-6-15(11-16)22(2,3)4/h5-12H,1-4H3,(H,24,25)(H,27,28).
What are the key properties of 5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid?
5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid is sourced from PubChem (CID 168967624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).