[3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone

C29H29N5O2 — CID 163290725

IUPAC[3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cccc(C(=O)N5CCCC5)c4)cc3n1)CNCC2
InChIInChI=1S/C29H29N5O2/c1-36-27-16-21-9-10-30-17-24(21)15-26(27)33-29-31-18-23-8-7-20(14-25(23)32-29)19-5-4-6-22(13-19)28(35)34-11-2-3-12-34/h4-8,13-16,18,30H,2-3,9-12,17H2,1H3,(H,31,32,33)
InChIKeyQPRHBSYRJGTLHA-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.93
Rot. Bonds5

About [3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone

[3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 163290725) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is [3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID163290725
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name[3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cccc(C(=O)N5CCCC5)c4)cc3n1)CNCC2
InChIInChI=1S/C29H29N5O2/c1-36-27-16-21-9-10-30-17-24(21)15-26(27)33-29-31-18-23-8-7-20(14-25(23)32-29)19-5-4-6-22(13-19)28(35)34-11-2-3-12-34/h4-8,13-16,18,30H,2-3,9-12,17H2,1H3,(H,31,32,33)
InChIKeyQPRHBSYRJGTLHA-UHFFFAOYSA-N
XLogP4.93
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone 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 [3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone (CID 163290725) is [3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone is COc1cc2c(cc1Nc1ncc3ccc(-c4cccc(C(=O)N5CCCC5)c4)cc3n1)CNCC2.
What is the InChIKey of [3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is QPRHBSYRJGTLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-36-27-16-21-9-10-30-17-24(21)15-26(27)33-29-31-18-23-8-7-20(14-25(23)32-29)19-5-4-6-22(13-19)28(35)34-11-2-3-12-34/h4-8,13-16,18,30H,2-3,9-12,17H2,1H3,(H,31,32,33).
What are the key properties of [3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone?
[3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 479.58 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 163290725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).