methane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone

C35H38N4O5 — CID 160954268

IUPACmethane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone
SMILESC.COCCOc1cc2ncnc(N3CCN(C(=O)Cc4ccc(Oc5cccc6ccccc56)cc4)CC3)c2cc1OC
InChIInChI=1S/C34H34N4O5.CH4/c1-40-18-19-42-32-22-29-28(21-31(32)41-2)34(36-23-35-29)38-16-14-37(15-17-38)33(39)20-24-10-12-26(13-11-24)43-30-9-5-7-25-6-3-4-8-27(25)30;/h3-13,21-23H,14-20H2,1-2H3;1H4
InChIKeySWEBZIFORHINBZ-UHFFFAOYSA-N
MW594.71 g/mol
LogP6.14
Rot. Bonds10

About methane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone

methane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone (PubChem CID 160954268) has the molecular formula C35H38N4O5 and a molecular weight of 594.71 g/mol. Its IUPAC name is methane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone.

Molecular Properties

Compound Namemethane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone
PubChem CID160954268
Molecular FormulaC35H38N4O5
Molecular Weight594.71 g/mol
Exact Mass594.28
IUPAC Namemethane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone
SMILESC.COCCOc1cc2ncnc(N3CCN(C(=O)Cc4ccc(Oc5cccc6ccccc56)cc4)CC3)c2cc1OC
InChIInChI=1S/C34H34N4O5.CH4/c1-40-18-19-42-32-22-29-28(21-31(32)41-2)34(36-23-35-29)38-16-14-37(15-17-38)33(39)20-24-10-12-26(13-11-24)43-30-9-5-7-25-6-3-4-8-27(25)30;/h3-13,21-23H,14-20H2,1-2H3;1H4
InChIKeySWEBZIFORHINBZ-UHFFFAOYSA-N
XLogP6.14
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.71
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-naphthalen-2-yloxyphenyl)piperazine-1-carboxamide
CID 10281714
4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 10166902
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 10973305
4-(6-methoxy-7-propoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 11752632
4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707591
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10344304
4-(6-methoxy-7-prop-2-enoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 10118413
2-amino-1-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 156824002
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 11015336
N-(4-butoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707356

Frequently Asked Questions

What is the IUPAC name of methane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone?
The IUPAC name of methane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone (CID 160954268) is methane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone.
What is the SMILES notation for methane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone?
The canonical SMILES for methane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone is C.COCCOc1cc2ncnc(N3CCN(C(=O)Cc4ccc(Oc5cccc6ccccc56)cc4)CC3)c2cc1OC.
What is the InChIKey of methane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone?
The InChIKey is SWEBZIFORHINBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O5.CH4/c1-40-18-19-42-32-22-29-28(21-31(32)41-2)34(36-23-35-29)38-16-14-37(15-17-38)33(39)20-24-10-12-26(13-11-24)43-30-9-5-7-25-6-3-4-8-27(25)30;/h3-13,21-23H,14-20H2,1-2H3;1H4.
What are the key properties of methane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone?
methane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone has a molecular weight of 594.71 g/mol, XLogP of 6.14, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazin-1-yl]-2-(4-naphthalen-1-yloxyphenyl)ethanone is sourced from PubChem (CID 160954268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).