4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide

C30H31ClN4O5 — CID 174448103

IUPAC4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ncnc3cc(OCc4ccccc4)cc(OCCCN4CCOCC4)c23)ccc1Cl
InChIInChI=1S/C30H31ClN4O5/c1-37-26-16-22(8-9-24(26)31)30(36)34-29-28-25(32-20-33-29)17-23(40-19-21-6-3-2-4-7-21)18-27(28)39-13-5-10-35-11-14-38-15-12-35/h2-4,6-9,16-18,20H,5,10-15,19H2,1H3,(H,32,33,34,36)
InChIKeyCWHDZKYZJDSYCT-UHFFFAOYSA-N
MW563.05 g/mol
LogP5.22
Rot. Bonds11

About 4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide

4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide (PubChem CID 174448103) has the molecular formula C30H31ClN4O5 and a molecular weight of 563.05 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide
PubChem CID174448103
Molecular FormulaC30H31ClN4O5
Molecular Weight563.05 g/mol
Exact Mass562.20
IUPAC Name4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ncnc3cc(OCc4ccccc4)cc(OCCCN4CCOCC4)c23)ccc1Cl
InChIInChI=1S/C30H31ClN4O5/c1-37-26-16-22(8-9-24(26)31)30(36)34-29-28-25(32-20-33-29)17-23(40-19-21-6-3-2-4-7-21)18-27(28)39-13-5-10-35-11-14-38-15-12-35/h2-4,6-9,16-18,20H,5,10-15,19H2,1H3,(H,32,33,34,36)
InChIKeyCWHDZKYZJDSYCT-UHFFFAOYSA-N
XLogP5.22
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.05
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide
CID 141436174
N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 11973907
N-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide
CID 118101377
4-methoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylmethoxybenzamide
CID 141436173
3-methoxy-N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide
CID 66550689
3-chloro-4-fluoro-N-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]benzamide
CID 23646074
N-[4-(3-methoxy-4-phenylmethoxyanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide
CID 18535837
7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54490718
N-(2-aminophenyl)-4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzamide
CID 71471023
7-methoxy-N-[4-(C-methyl-N-phenylmethoxycarbonimidoyl)phenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;sulfuric acid
CID 85149631
(2S)-2-aminobutanedioic acid;7-methoxy-N-[4-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 10078220
N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine
CID 11488696

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide?
The IUPAC name of 4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide (CID 174448103) is 4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide?
The canonical SMILES for 4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide is COc1cc(C(=O)Nc2ncnc3cc(OCc4ccccc4)cc(OCCCN4CCOCC4)c23)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide?
The InChIKey is CWHDZKYZJDSYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O5/c1-37-26-16-22(8-9-24(26)31)30(36)34-29-28-25(32-20-33-29)17-23(40-19-21-6-3-2-4-7-21)18-27(28)39-13-5-10-35-11-14-38-15-12-35/h2-4,6-9,16-18,20H,5,10-15,19H2,1H3,(H,32,33,34,36).
What are the key properties of 4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide?
4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide has a molecular weight of 563.05 g/mol, XLogP of 5.22, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide is sourced from PubChem (CID 174448103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).