N-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine

C18H13N5 — CID 15549232

IUPACN-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine
SMILESC#Cc1cccc(Nc2ncnc3cc4ncn(C)c4cc23)c1
InChIInChI=1S/C18H13N5/c1-3-12-5-4-6-13(7-12)22-18-14-8-17-16(21-11-23(17)2)9-15(14)19-10-20-18/h1,4-11H,2H3,(H,19,20,22)
InChIKeyIHRWJIAWLLNDPO-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.24
Rot. Bonds2

About N-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine

N-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine (PubChem CID 15549232) has the molecular formula C18H13N5 and a molecular weight of 299.34 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine
PubChem CID15549232
Molecular FormulaC18H13N5
Molecular Weight299.34 g/mol
Exact Mass299.12
IUPAC NameN-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine
SMILESC#Cc1cccc(Nc2ncnc3cc4ncn(C)c4cc23)c1
InChIInChI=1S/C18H13N5/c1-3-12-5-4-6-13(7-12)22-18-14-8-17-16(21-11-23(17)2)9-15(14)19-10-20-18/h1,4-11H,2H3,(H,19,20,22)
InChIKeyIHRWJIAWLLNDPO-UHFFFAOYSA-N
XLogP3.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethynylanilino)quinazoline-6,7-diol
CID 135610917
N-(3-ethynylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine
CID 22460851
N-(3-ethynylphenyl)-7-methylpyrido[4,3-d]pyrimidin-4-amine;hydrochloride
CID 22460869
N-(3-ethynylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 22460891
N-(3-ethynylphenyl)-6-methoxyquinazolin-4-amine;hydrochloride
CID 18925055
2-[7-(carboxymethyl)-4-(3-ethynylanilino)quinazolin-6-yl]acetic acid
CID 87085203
N-(3-ethynylphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride
CID 18925061
N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-(2-(111C)methoxyethoxy)quinazolin-4-amine
CID 44625620
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;silver
CID 175128959
methyl 4-(3-ethynylanilino)quinazoline-6-carboxylate;hydrochloride
CID 18925071
N-(3-ethynylphenyl)-7-(2-imidazol-1-ylethoxy)-6-(2-methoxyethoxy)quinazolin-4-amine
CID 18925101
4-chloro-6,7-dimethoxyquinazoline;N-(3-ethynylphenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 162132329

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine?
The IUPAC name of N-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine (CID 15549232) is N-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine.
What is the SMILES notation for N-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine?
The canonical SMILES for N-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine is C#Cc1cccc(Nc2ncnc3cc4ncn(C)c4cc23)c1.
What is the InChIKey of N-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine?
The InChIKey is IHRWJIAWLLNDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5/c1-3-12-5-4-6-13(7-12)22-18-14-8-17-16(21-11-23(17)2)9-15(14)19-10-20-18/h1,4-11H,2H3,(H,19,20,22).
What are the key properties of N-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine?
N-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine has a molecular weight of 299.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-1-methylimidazo[4,5-g]quinazolin-8-amine is sourced from PubChem (CID 15549232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).