6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine

C25H28N4O2 — CID 166381198

IUPAC6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine
SMILESc1ccc2c(c1)OC1(CCCC1)CC2Nc1ncnc2ccc(N3CCOCC3)cc12
InChIInChI=1S/C25H28N4O2/c1-2-6-23-19(5-1)22(16-25(31-23)9-3-4-10-25)28-24-20-15-18(29-11-13-30-14-12-29)7-8-21(20)26-17-27-24/h1-2,5-8,15,17,22H,3-4,9-14,16H2,(H,26,27,28)
InChIKeyXOTJKLMVDORVRU-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.71
Rot. Bonds3

About 6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine

6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine (PubChem CID 166381198) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine
PubChem CID166381198
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine
SMILESc1ccc2c(c1)OC1(CCCC1)CC2Nc1ncnc2ccc(N3CCOCC3)cc12
InChIInChI=1S/C25H28N4O2/c1-2-6-23-19(5-1)22(16-25(31-23)9-3-4-10-25)28-24-20-15-18(29-11-13-30-14-12-29)7-8-21(20)26-17-27-24/h1-2,5-8,15,17,22H,3-4,9-14,16H2,(H,26,27,28)
InChIKeyXOTJKLMVDORVRU-UHFFFAOYSA-N
XLogP4.71
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine 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 6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine?
The IUPAC name of 6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine (CID 166381198) is 6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine.
What is the SMILES notation for 6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine?
The canonical SMILES for 6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine is c1ccc2c(c1)OC1(CCCC1)CC2Nc1ncnc2ccc(N3CCOCC3)cc12.
What is the InChIKey of 6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine?
The InChIKey is XOTJKLMVDORVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-2-6-23-19(5-1)22(16-25(31-23)9-3-4-10-25)28-24-20-15-18(29-11-13-30-14-12-29)7-8-21(20)26-17-27-24/h1-2,5-8,15,17,22H,3-4,9-14,16H2,(H,26,27,28).
What are the key properties of 6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine?
6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine has a molecular weight of 416.53 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylquinazolin-4-amine is sourced from PubChem (CID 166381198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).