N-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C22H19N5S — CID 44968187

IUPACN-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCN(Cc1cccs1)c1ncnc2ccc(-c3ccc4cnn(C)c4c3)cc12
InChIInChI=1S/C22H19N5S/c1-26(13-18-4-3-9-28-18)22-19-10-15(7-8-20(19)23-14-24-22)16-5-6-17-12-25-27(2)21(17)11-16/h3-12,14H,13H2,1-2H3
InChIKeyKFETUSFAEDQPJX-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.88
Rot. Bonds4

About N-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

N-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 44968187) has the molecular formula C22H19N5S and a molecular weight of 385.50 g/mol. Its IUPAC name is N-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID44968187
Molecular FormulaC22H19N5S
Molecular Weight385.50 g/mol
Exact Mass385.14
IUPAC NameN-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCN(Cc1cccs1)c1ncnc2ccc(-c3ccc4cnn(C)c4c3)cc12
InChIInChI=1S/C22H19N5S/c1-26(13-18-4-3-9-28-18)22-19-10-15(7-8-20(19)23-14-24-22)16-5-6-17-12-25-27(2)21(17)11-16/h3-12,14H,13H2,1-2H3
InChIKeyKFETUSFAEDQPJX-UHFFFAOYSA-N
XLogP4.88
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(3-Methyl-2-thienyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011486
(1H-Indazol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382857
N4-(3-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
CID 46224695
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-isopropyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46226038
2,9-Dimethyl-5-((1-methyl-4-phenyl-1H-imidazol-2-ylthio)methyl)pyrazolo[1,5-c]quinazoline
CID 53317312
4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 54672932
1-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)indazole
CID 57405092
3-(6-Quinolylmethyl)-6-(2-thienyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405873
6-[Difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
CID 57406400
N-pyridin-4-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
CID 58189484
1-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-6-methyl-5-(4-methylsulfonylphenyl)indazole
CID 68021862
7-(Thiophen-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 85933583

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of N-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 44968187) is N-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for N-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for N-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is CN(Cc1cccs1)c1ncnc2ccc(-c3ccc4cnn(C)c4c3)cc12.
What is the InChIKey of N-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is KFETUSFAEDQPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5S/c1-26(13-18-4-3-9-28-18)22-19-10-15(7-8-20(19)23-14-24-22)16-5-6-17-12-25-27(2)21(17)11-16/h3-12,14H,13H2,1-2H3.
What are the key properties of N-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
N-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 385.50 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 44968187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).