N,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide

C27H34N6O2 — CID 52950188

IUPACN,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide
SMILESCNC(=O)c1cn(C)c2c1C(C)(C)Cc1cnc(Nc3cccc(OC4CCN(C)CC4)c3)nc1-2
InChIInChI=1S/C27H34N6O2/c1-27(2)14-17-15-29-26(31-23(17)24-22(27)21(16-33(24)5)25(34)28-3)30-18-7-6-8-20(13-18)35-19-9-11-32(4)12-10-19/h6-8,13,15-16,19H,9-12,14H2,1-5H3,(H,28,34)(H,29,30,31)
InChIKeyMTCJIHKSTBDECF-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.89
Rot. Bonds5

About N,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide

N,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide (PubChem CID 52950188) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide.

Molecular Properties

Compound NameN,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide
PubChem CID52950188
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC NameN,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide
SMILESCNC(=O)c1cn(C)c2c1C(C)(C)Cc1cnc(Nc3cccc(OC4CCN(C)CC4)c3)nc1-2
InChIInChI=1S/C27H34N6O2/c1-27(2)14-17-15-29-26(31-23(17)24-22(27)21(16-33(24)5)25(34)28-3)30-18-7-6-8-20(13-18)35-19-9-11-32(4)12-10-19/h6-8,13,15-16,19H,9-12,14H2,1-5H3,(H,28,34)(H,29,30,31)
InChIKeyMTCJIHKSTBDECF-UHFFFAOYSA-N
XLogP3.89
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide?
The IUPAC name of N,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide (CID 52950188) is N,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide.
What is the SMILES notation for N,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide?
The canonical SMILES for N,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide is CNC(=O)c1cn(C)c2c1C(C)(C)Cc1cnc(Nc3cccc(OC4CCN(C)CC4)c3)nc1-2.
What is the InChIKey of N,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide?
The InChIKey is MTCJIHKSTBDECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-27(2)14-17-15-29-26(31-23(17)24-22(27)21(16-33(24)5)25(34)28-3)30-18-7-6-8-20(13-18)35-19-9-11-32(4)12-10-19/h6-8,13,15-16,19H,9-12,14H2,1-5H3,(H,28,34)(H,29,30,31).
What are the key properties of N,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide?
N,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6,6,9-tetramethyl-2-[3-(1-methylpiperidin-4-yl)oxyanilino]-5H-pyrrolo[3,2-h]quinazoline-7-carboxamide is sourced from PubChem (CID 52950188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).