N-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine

C29H26N4O2 — CID 155096500

IUPACN-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine
SMILESCN(CCOc1ccccc1)c1nc(-c2ccc(OCc3ccccc3)nc2)nc2ccccc12
InChIInChI=1S/C29H26N4O2/c1-33(18-19-34-24-12-6-3-7-13-24)29-25-14-8-9-15-26(25)31-28(32-29)23-16-17-27(30-20-23)35-21-22-10-4-2-5-11-22/h2-17,20H,18-19,21H2,1H3
InChIKeyMUXZWULFYNCRIS-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.79
Rot. Bonds9

About N-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine

N-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine (PubChem CID 155096500) has the molecular formula C29H26N4O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine
PubChem CID155096500
Molecular FormulaC29H26N4O2
Molecular Weight462.55 g/mol
Exact Mass462.21
IUPAC NameN-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine
SMILESCN(CCOc1ccccc1)c1nc(-c2ccc(OCc3ccccc3)nc2)nc2ccccc12
InChIInChI=1S/C29H26N4O2/c1-33(18-19-34-24-12-6-3-7-13-24)29-25-14-8-9-15-26(25)31-28(32-29)23-16-17-27(30-20-23)35-21-22-10-4-2-5-11-22/h2-17,20H,18-19,21H2,1H3
InChIKeyMUXZWULFYNCRIS-UHFFFAOYSA-N
XLogP5.79
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine (CID 155096500) is N-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine is CN(CCOc1ccccc1)c1nc(-c2ccc(OCc3ccccc3)nc2)nc2ccccc12.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine?
The InChIKey is MUXZWULFYNCRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2/c1-33(18-19-34-24-12-6-3-7-13-24)29-25-14-8-9-15-26(25)31-28(32-29)23-16-17-27(30-20-23)35-21-22-10-4-2-5-11-22/h2-17,20H,18-19,21H2,1H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine?
N-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine has a molecular weight of 462.55 g/mol, XLogP of 5.79, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)-2-(6-phenylmethoxy-3-pyridinyl)quinazolin-4-amine is sourced from PubChem (CID 155096500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).