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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Related Compounds

1-[5-[4-[methyl(2-phenoxyethyl)amino]quinazolin-2-yl]-2-pyridinyl]propan-2-one
CID 159694548
N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
CID 137470023
8-fluoro-N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 137469978
N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 7765679
N,N,N'-trimethyl-N'-(2-phenylquinazolin-4-yl)ethane-1,2-diamine
CID 56670000
(2,5-dioxopyrrolidin-1-yl) 4-[4-[2-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]ethoxy]phenyl]but-3-ynoate
CID 137379665
N-(2-cyclohexa-1,5-dien-1-yloxyethyl)-2-(5-fluoro-3-pyridinyl)-N-methylquinazolin-4-amine
CID 142524896
N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine
CID 15992174
5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine
CID 72937172
N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-amine
CID 158609715
3-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylpropanamide
CID 137469993
N,N-dimethyl-3-[[5-(9-phenylmethoxypyrido[1,2-a]benzimidazol-2-yl)-2-pyridinyl]oxy]propan-1-amine
CID 142413732

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).