N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine

C20H22N4O — CID 175725425

IUPACN-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine
SMILESCN1CCC(Oc2ccc(Nc3ncc4ccccc4n3)cc2)CC1
InChIInChI=1S/C20H22N4O/c1-24-12-10-18(11-13-24)25-17-8-6-16(7-9-17)22-20-21-14-15-4-2-3-5-19(15)23-20/h2-9,14,18H,10-13H2,1H3,(H,21,22,23)
InChIKeyOEWGTPMHDQKSDC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.85
Rot. Bonds4

About N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine (PubChem CID 175725425) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine.

Molecular Properties

Compound NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine
PubChem CID175725425
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine
SMILESCN1CCC(Oc2ccc(Nc3ncc4ccccc4n3)cc2)CC1
InChIInChI=1S/C20H22N4O/c1-24-12-10-18(11-13-24)25-17-8-6-16(7-9-17)22-20-21-14-15-4-2-3-5-19(15)23-20/h2-9,14,18H,10-13H2,1H3,(H,21,22,23)
InChIKeyOEWGTPMHDQKSDC-UHFFFAOYSA-N
XLogP3.85
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-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

4-amino-3-(2,6-dichlorophenyl)-7-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrimido[4,5-d]pyrimidin-2-one
CID 58455452
3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide
CID 70889751
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine
CID 67102042
N-(4-methylsulfonylphenyl)-7-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67102202
N-[4-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]oxyphenyl]-8-phenylquinazolin-2-amine
CID 141446351
2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 70934288
2-ethynyl-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]benzoic acid
CID 91317630
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine
CID 90936234
4-[[7-[(1-methylpiperidin-4-yl)amino]quinazolin-2-yl]amino]-N-propan-2-ylbenzamide
CID 67101940
N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325616
1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine
CID 154515167

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine?
The IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine (CID 175725425) is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine.
What is the SMILES notation for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine?
The canonical SMILES for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine is CN1CCC(Oc2ccc(Nc3ncc4ccccc4n3)cc2)CC1.
What is the InChIKey of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine?
The InChIKey is OEWGTPMHDQKSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-24-12-10-18(11-13-24)25-17-8-6-16(7-9-17)22-20-21-14-15-4-2-3-5-19(15)23-20/h2-9,14,18H,10-13H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine?
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine has a molecular weight of 334.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine is sourced from PubChem (CID 175725425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).