4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine

C27H21N9 — CID 87550137

IUPAC4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine
SMILESC#Cc1cccc(-c2ncnc3c(-c4ncccc4-c4ncnc5nc[nH]c45)c(C)ccc23)c1.NN
InChIInChI=1S/C27H17N7.H4N2/c1-3-17-6-4-7-18(12-17)22-20-10-9-16(2)21(24(20)30-13-29-22)23-19(8-5-11-28-23)25-26-27(33-14-31-25)34-15-32-26;1-2/h1,4-15H,2H3,(H,31,32,33,34);1-2H2
InChIKeyFUORSNQQBHYPQK-UHFFFAOYSA-N
MW471.53 g/mol
LogP3.80
Rot. Bonds3

About 4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine

4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine (PubChem CID 87550137) has the molecular formula C27H21N9 and a molecular weight of 471.53 g/mol. Its IUPAC name is 4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine.

Molecular Properties

Compound Name4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine
PubChem CID87550137
Molecular FormulaC27H21N9
Molecular Weight471.53 g/mol
Exact Mass471.19
IUPAC Name4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine
SMILESC#Cc1cccc(-c2ncnc3c(-c4ncccc4-c4ncnc5nc[nH]c45)c(C)ccc23)c1.NN
InChIInChI=1S/C27H17N7.H4N2/c1-3-17-6-4-7-18(12-17)22-20-10-9-16(2)21(24(20)30-13-29-22)23-19(8-5-11-28-23)25-26-27(33-14-31-25)34-15-32-26;1-2/h1,4-15H,2H3,(H,31,32,33,34);1-2H2
InChIKeyFUORSNQQBHYPQK-UHFFFAOYSA-N
XLogP3.80
TPSA145.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pazelliptine
CID 68853
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
B-Raf inhibitor 1
CID 44223999
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
1,3-Propanediamine, N'-(6,11-dimethyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-N,N-dimethyl-
CID 3056049
1,3-Propanediamine, N-ethyl-N'-(6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-, hemihydrate
CID 3068864
N,12-dimethyl-12,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,11(15),13,16-octaen-16-amine
CID 9813880
N-(2-aminoethyl)-12-methyl-12,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,11(15),13,16-octaen-16-amine
CID 9900652
3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946
Aminoisoquinoline, 15
CID 24863584
N-(2,6-dimethylphenyl)-12-piperazin-1-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 19605714
N-(2-methyl-4-(2-(piperidin-1-yl)ethyl)phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 44416038

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine?
The IUPAC name of 4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine (CID 87550137) is 4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine.
What is the SMILES notation for 4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine?
The canonical SMILES for 4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine is C#Cc1cccc(-c2ncnc3c(-c4ncccc4-c4ncnc5nc[nH]c45)c(C)ccc23)c1.NN.
What is the InChIKey of 4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine?
The InChIKey is FUORSNQQBHYPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N7.H4N2/c1-3-17-6-4-7-18(12-17)22-20-10-9-16(2)21(24(20)30-13-29-22)23-19(8-5-11-28-23)25-26-27(33-14-31-25)34-15-32-26;1-2/h1,4-15H,2H3,(H,31,32,33,34);1-2H2.
What are the key properties of 4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine?
4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine has a molecular weight of 471.53 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine is sourced from PubChem (CID 87550137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).