5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine

C18H22N4O — CID 162653494

IUPAC5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine
SMILESCC1(C)Cc2cc(OC3CCNC3)ccc2-c2ncnc(N)c21
InChIInChI=1S/C18H22N4O/c1-18(2)8-11-7-12(23-13-5-6-20-9-13)3-4-14(11)16-15(18)17(19)22-10-21-16/h3-4,7,10,13,20H,5-6,8-9H2,1-2H3,(H2,19,21,22)
InChIKeyNKGMVMPUPWABNO-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.30
Rot. Bonds2

About 5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine

5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine (PubChem CID 162653494) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine.

Molecular Properties

Compound Name5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine
PubChem CID162653494
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine
SMILESCC1(C)Cc2cc(OC3CCNC3)ccc2-c2ncnc(N)c21
InChIInChI=1S/C18H22N4O/c1-18(2)8-11-7-12(23-13-5-6-20-9-13)3-4-14(11)16-15(18)17(19)22-10-21-16/h3-4,7,10,13,20H,5-6,8-9H2,1-2H3,(H2,19,21,22)
InChIKeyNKGMVMPUPWABNO-UHFFFAOYSA-N
XLogP2.30
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-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 5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine?
The IUPAC name of 5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine (CID 162653494) is 5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine.
What is the SMILES notation for 5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine?
The canonical SMILES for 5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine is CC1(C)Cc2cc(OC3CCNC3)ccc2-c2ncnc(N)c21.
What is the InChIKey of 5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine?
The InChIKey is NKGMVMPUPWABNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-18(2)8-11-7-12(23-13-5-6-20-9-13)3-4-14(11)16-15(18)17(19)22-10-21-16/h3-4,7,10,13,20H,5-6,8-9H2,1-2H3,(H2,19,21,22).
What are the key properties of 5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine?
5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine has a molecular weight of 310.40 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-8-pyrrolidin-3-yloxy-6H-benzo[h]quinazolin-4-amine is sourced from PubChem (CID 162653494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).