2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol

C24H29N5O2 — CID 71255361

IUPAC2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol
SMILESCc1ccc2nc(N3CCC(C)(O)c4ccccc4C3)nc(NCC3(N)COC3)c2c1
InChIInChI=1S/C24H29N5O2/c1-16-7-8-20-18(11-16)21(26-13-24(25)14-31-15-24)28-22(27-20)29-10-9-23(2,30)19-6-4-3-5-17(19)12-29/h3-8,11,30H,9-10,12-15,25H2,1-2H3,(H,26,27,28)
InChIKeyYIOCWHXKUSFQBD-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.70
Rot. Bonds4

About 2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol

2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol (PubChem CID 71255361) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol.

Molecular Properties

Compound Name2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol
PubChem CID71255361
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol
SMILESCc1ccc2nc(N3CCC(C)(O)c4ccccc4C3)nc(NCC3(N)COC3)c2c1
InChIInChI=1S/C24H29N5O2/c1-16-7-8-20-18(11-16)21(26-13-24(25)14-31-15-24)28-22(27-20)29-10-9-23(2,30)19-6-4-3-5-17(19)12-29/h3-8,11,30H,9-10,12-15,25H2,1-2H3,(H,26,27,28)
InChIKeyYIOCWHXKUSFQBD-UHFFFAOYSA-N
XLogP2.70
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol 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 2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol?
The IUPAC name of 2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol (CID 71255361) is 2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol.
What is the SMILES notation for 2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol?
The canonical SMILES for 2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol is Cc1ccc2nc(N3CCC(C)(O)c4ccccc4C3)nc(NCC3(N)COC3)c2c1.
What is the InChIKey of 2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol?
The InChIKey is YIOCWHXKUSFQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-7-8-20-18(11-16)21(26-13-24(25)14-31-15-24)28-22(27-20)29-10-9-23(2,30)19-6-4-3-5-17(19)12-29/h3-8,11,30H,9-10,12-15,25H2,1-2H3,(H,26,27,28).
What are the key properties of 2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol?
2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol has a molecular weight of 419.53 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-aminooxetan-3-yl)methylamino]-6-methylquinazolin-2-yl]-5-methyl-3,4-dihydro-1H-2-benzazepin-5-ol is sourced from PubChem (CID 71255361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).