3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine

C28H37N5O2 — CID 25028886

IUPAC3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine
SMILESCCCCCCCc1nc2cc3c(Nc4ccc(OC)cc4)ncnc3cc2n1CCCOCC
InChIInChI=1S/C28H37N5O2/c1-4-6-7-8-9-11-27-32-25-18-23-24(19-26(25)33(27)16-10-17-35-5-2)29-20-30-28(23)31-21-12-14-22(34-3)15-13-21/h12-15,18-20H,4-11,16-17H2,1-3H3,(H,29,30,31)
InChIKeyDVOPIPPNFKPYDO-UHFFFAOYSA-N
MW475.64 g/mol
LogP6.67
Rot. Bonds14

About 3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine

3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine (PubChem CID 25028886) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine.

Molecular Properties

Compound Name3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine
PubChem CID25028886
Molecular FormulaC28H37N5O2
Molecular Weight475.64 g/mol
Exact Mass475.29
IUPAC Name3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine
SMILESCCCCCCCc1nc2cc3c(Nc4ccc(OC)cc4)ncnc3cc2n1CCCOCC
InChIInChI=1S/C28H37N5O2/c1-4-6-7-8-9-11-27-32-25-18-23-24(19-26(25)33(27)16-10-17-35-5-2)29-20-30-28(23)31-21-12-14-22(34-3)15-13-21/h12-15,18-20H,4-11,16-17H2,1-3H3,(H,29,30,31)
InChIKeyDVOPIPPNFKPYDO-UHFFFAOYSA-N
XLogP6.67
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-2-ethyl-3-propylimidazo[4,5-g]quinazolin-8-amine
CID 102155914
8-(4-methoxyanilino)-3-(2-methylpropyl)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 102381738
5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole
CID 43666524
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679
2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308773
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 66554700
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
5-bromo-2-(chloromethyl)-1-(3-ethoxypropyl)benzimidazole
CID 43660258
N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988071
6-butoxy-N-(3-methoxyphenyl)-7-methylquinazolin-4-amine
CID 142857826

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine?
The IUPAC name of 3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine (CID 25028886) is 3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine.
What is the SMILES notation for 3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine?
The canonical SMILES for 3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine is CCCCCCCc1nc2cc3c(Nc4ccc(OC)cc4)ncnc3cc2n1CCCOCC.
What is the InChIKey of 3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine?
The InChIKey is DVOPIPPNFKPYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2/c1-4-6-7-8-9-11-27-32-25-18-23-24(19-26(25)33(27)16-10-17-35-5-2)29-20-30-28(23)31-21-12-14-22(34-3)15-13-21/h12-15,18-20H,4-11,16-17H2,1-3H3,(H,29,30,31).
What are the key properties of 3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine?
3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine has a molecular weight of 475.64 g/mol, XLogP of 6.67, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropyl)-2-heptyl-N-(4-methoxyphenyl)imidazo[4,5-g]quinazolin-8-amine is sourced from PubChem (CID 25028886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).