N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine

C20H30N3O4P — CID 166527036

IUPACN-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine
SMILESCCOP(=O)(CC[C@@H]1CC[C@H](Nc2ncnc3c(OC)cccc23)C1)OCC
InChIInChI=1S/C20H30N3O4P/c1-4-26-28(24,27-5-2)12-11-15-9-10-16(13-15)23-20-17-7-6-8-18(25-3)19(17)21-14-22-20/h6-8,14-16H,4-5,9-13H2,1-3H3,(H,21,22,23)/t15-,16-/m0/s1
InChIKeyIUBOWJOTVLXBIH-HOTGVXAUSA-N
MW407.45 g/mol
LogP4.88
Rot. Bonds10

About N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine

N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine (PubChem CID 166527036) has the molecular formula C20H30N3O4P and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine
PubChem CID166527036
Molecular FormulaC20H30N3O4P
Molecular Weight407.45 g/mol
Exact Mass407.20
IUPAC NameN-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine
SMILESCCOP(=O)(CC[C@@H]1CC[C@H](Nc2ncnc3c(OC)cccc23)C1)OCC
InChIInChI=1S/C20H30N3O4P/c1-4-26-28(24,27-5-2)12-11-15-9-10-16(13-15)23-20-17-7-6-8-18(25-3)19(17)21-14-22-20/h6-8,14-16H,4-5,9-13H2,1-3H3,(H,21,22,23)/t15-,16-/m0/s1
InChIKeyIUBOWJOTVLXBIH-HOTGVXAUSA-N
XLogP4.88
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-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

Related Compounds

N-[4-(2-diethoxyphosphorylethyl)cyclohexyl]-8-methoxyquinazolin-4-amine
CID 166527052
1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide
CID 166527049
ethyl 3-[2-diethoxyphosphoryl-1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]propanoate
CID 175387349
8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine
CID 166259030
2-diethoxyphosphoryl-4-[1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]butan-1-ol
CID 166527069
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
N-(3-ethoxycyclobutyl)quinazolin-4-amine
CID 102609150
4-N-cyclopropyl-2-N-(4-ethylsulfonyl-2-methylphenyl)-8-methoxyquinazoline-2,4-diamine
CID 67717915
3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol
CID 167874305
4-[[1-(3,4-dimethoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide
CID 142798696
N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine
CID 143957231
ethyl 2-(cyclopentylamino)-8-methoxyquinoline-3-carboxylate
CID 142785566

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine?
The IUPAC name of N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine (CID 166527036) is N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine.
What is the SMILES notation for N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine?
The canonical SMILES for N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine is CCOP(=O)(CC[C@@H]1CC[C@H](Nc2ncnc3c(OC)cccc23)C1)OCC.
What is the InChIKey of N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine?
The InChIKey is IUBOWJOTVLXBIH-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H30N3O4P/c1-4-26-28(24,27-5-2)12-11-15-9-10-16(13-15)23-20-17-7-6-8-18(25-3)19(17)21-14-22-20/h6-8,14-16H,4-5,9-13H2,1-3H3,(H,21,22,23)/t15-,16-/m0/s1.
What are the key properties of N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine?
N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine has a molecular weight of 407.45 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine is sourced from PubChem (CID 166527036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).