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

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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).