N-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide

C31H42N6O6 — CID 91607619

IUPACN-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide
SMILESCOCCOc1cc2c(N3CCN(NC(=O)c4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCN1CCOCC1
InChIInChI=1S/C31H42N6O6/c1-23(2)43-25-6-4-24(5-7-25)31(38)34-37-10-8-36(9-11-37)30-26-20-28(42-19-18-39-3)29(21-27(26)32-22-33-30)41-17-14-35-12-15-40-16-13-35/h4-7,20-23H,8-19H2,1-3H3,(H,34,38)
InChIKeyCFTDGEMEJSBXHF-UHFFFAOYSA-N
MW594.71 g/mol
LogP2.62
Rot. Bonds13

About N-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide

N-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide (PubChem CID 91607619) has the molecular formula C31H42N6O6 and a molecular weight of 594.71 g/mol. Its IUPAC name is N-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide
PubChem CID91607619
Molecular FormulaC31H42N6O6
Molecular Weight594.71 g/mol
Exact Mass594.32
IUPAC NameN-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide
SMILESCOCCOc1cc2c(N3CCN(NC(=O)c4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCN1CCOCC1
InChIInChI=1S/C31H42N6O6/c1-23(2)43-25-6-4-24(5-7-25)31(38)34-37-10-8-36(9-11-37)30-26-20-28(42-19-18-39-3)29(21-27(26)32-22-33-30)41-17-14-35-12-15-40-16-13-35/h4-7,20-23H,8-19H2,1-3H3,(H,34,38)
InChIKeyCFTDGEMEJSBXHF-UHFFFAOYSA-N
XLogP2.62
TPSA110.75 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.71
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(2-methoxyethoxy)-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10210632
4-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]morpholine
CID 11111537
4-[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10281928
4-(7-ethoxy-6-methoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10115819
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
2-hydroxypropane-1,2,3-tricarboxylic acid;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 71584894
4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 10166902
N-[4-[7-(2-methoxypropoxy)quinazolin-4-yl]piperazin-1-yl]-4-phenoxybenzamide
CID 91072144
4-(6-methoxy-7-prop-2-ynoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10184004
1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 58770571
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]urea
CID 57329008
3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride
CID 52997518

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide (CID 91607619) is N-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide is COCCOc1cc2c(N3CCN(NC(=O)c4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCN1CCOCC1.
What is the InChIKey of N-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide?
The InChIKey is CFTDGEMEJSBXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N6O6/c1-23(2)43-25-6-4-24(5-7-25)31(38)34-37-10-8-36(9-11-37)30-26-20-28(42-19-18-39-3)29(21-27(26)32-22-33-30)41-17-14-35-12-15-40-16-13-35/h4-7,20-23H,8-19H2,1-3H3,(H,34,38).
What are the key properties of N-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide?
N-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide has a molecular weight of 594.71 g/mol, XLogP of 2.62, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(2-methoxyethoxy)-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazin-1-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 91607619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).