1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine

C18H19N5S — CID 21106359

IUPAC1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCc1csc(-c2cc3nc(N)nc(N(C)C)c3c3ccn(C)c23)c1
InChIInChI=1S/C18H19N5S/c1-10-7-14(24-9-10)12-8-13-15(11-5-6-23(4)16(11)12)17(22(2)3)21-18(19)20-13/h5-9H,1-4H3,(H2,19,20,21)
InChIKeyZRLAZDZXYDDYBQ-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.81
Rot. Bonds2

About 1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine

1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 21106359) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID21106359
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC Name1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCc1csc(-c2cc3nc(N)nc(N(C)C)c3c3ccn(C)c23)c1
InChIInChI=1S/C18H19N5S/c1-10-7-14(24-9-10)12-8-13-15(11-5-6-23(4)16(11)12)17(22(2)3)21-18(19)20-13/h5-9H,1-4H3,(H2,19,20,21)
InChIKeyZRLAZDZXYDDYBQ-UHFFFAOYSA-N
XLogP3.81
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine with MolForge

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Related Compounds

3-[3-amino-1-(diethylamino)-7-methylpyrrolo[3,2-f]quinazolin-6-yl]benzenethiol
CID 91393754
1-N,1-N-diethyl-7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 11156779
6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
CID 11383037
7-methyl-6-(5-methylthiophen-2-yl)pyrrolo[3,2-f]quinazolin-3-amine
CID 141101177
6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
CID 11232589
1-N,1-N-dibenzyl-7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
CID 21106367
7-methyl-6-(2-methylphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
CID 69147248
3-[(3-amino-7-methyl-6-thiophen-2-ylpyrrolo[3,2-f]quinazolin-1-yl)amino]propan-1-ol;2,2,2-trifluoroacetic acid
CID 11431267
6-(3,5-dichlorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
CID 69146783
6-(2,6-dimethoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
CID 69145564
6-(4-bromo-2-fluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
CID 69146184
4-methoxy-5-methylpyrrolo[3,2-d]pyrimidin-2-amine
CID 83874847

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 21106359) is 1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine is Cc1csc(-c2cc3nc(N)nc(N(C)C)c3c3ccn(C)c23)c1.
What is the InChIKey of 1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is ZRLAZDZXYDDYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S/c1-10-7-14(24-9-10)12-8-13-15(11-5-6-23(4)16(11)12)17(22(2)3)21-18(19)20-13/h5-9H,1-4H3,(H2,19,20,21).
What are the key properties of 1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 337.45 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,7-trimethyl-6-(4-methylthiophen-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 21106359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).