N-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine

C24H29N5 — CID 102155914

IUPACN-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine
SMILESCCCn1c(CC)nc2cc3c(Nc4ccc(C(C)(C)C)cc4)ncnc3cc21
InChIInChI=1S/C24H29N5/c1-6-12-29-21-14-19-18(13-20(21)28-22(29)7-2)23(26-15-25-19)27-17-10-8-16(9-11-17)24(3,4)5/h8-11,13-15H,6-7,12H2,1-5H3,(H,25,26,27)
InChIKeyYWVJHJLWSIQGLU-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.99
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine

N-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine (PubChem CID 102155914) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine
PubChem CID102155914
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC NameN-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine
SMILESCCCn1c(CC)nc2cc3c(Nc4ccc(C(C)(C)C)cc4)ncnc3cc21
InChIInChI=1S/C24H29N5/c1-6-12-29-21-14-19-18(13-20(21)28-22(29)7-2)23(26-15-25-19)27-17-10-8-16(9-11-17)24(3,4)5/h8-11,13-15H,6-7,12H2,1-5H3,(H,25,26,27)
InChIKeyYWVJHJLWSIQGLU-UHFFFAOYSA-N
XLogP5.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine
CID 25028886
N-(4-tert-butylphenyl)quinazolin-4-amine
CID 11323396
2-ethyl-5,6-dimethyl-1-propylbenzimidazole
CID 143667898
5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762731
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 23537132
N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63733908
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772507
8-(4-methoxyanilino)-3-(2-methylpropyl)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 102381738
N-(4-ethylphenyl)-1H-imidazo[4,5-g]quinazolin-8-amine
CID 11460447
CID 88972028
CID 88972028

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine?
The IUPAC name of N-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine (CID 102155914) is N-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine is CCCn1c(CC)nc2cc3c(Nc4ccc(C(C)(C)C)cc4)ncnc3cc21.
What is the InChIKey of N-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine?
The InChIKey is YWVJHJLWSIQGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-6-12-29-21-14-19-18(13-20(21)28-22(29)7-2)23(26-15-25-19)27-17-10-8-16(9-11-17)24(3,4)5/h8-11,13-15H,6-7,12H2,1-5H3,(H,25,26,27).
What are the key properties of N-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine?
N-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine has a molecular weight of 387.53 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine is sourced from PubChem (CID 102155914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).