4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

C27H27N5O3 — CID 11155618

IUPAC4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc2c(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)ncnc2cc1C
InChIInChI=1S/C27H27N5O3/c1-19-16-24-23(17-25(19)34-2)26(29-18-28-24)31-12-14-32(15-13-31)27(33)30-20-8-10-22(11-9-20)35-21-6-4-3-5-7-21/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)
InChIKeyXZKSPTBEYGRIAW-UHFFFAOYSA-N
MW469.55 g/mol
LogP5.09
Rot. Bonds5

About 4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (PubChem CID 11155618) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
PubChem CID11155618
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc2c(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)ncnc2cc1C
InChIInChI=1S/C27H27N5O3/c1-19-16-24-23(17-25(19)34-2)26(29-18-28-24)31-12-14-32(15-13-31)27(33)30-20-8-10-22(11-9-20)35-21-6-4-3-5-7-21/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)
InChIKeyXZKSPTBEYGRIAW-UHFFFAOYSA-N
XLogP5.09
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(4-phenoxyphenyl)quinazolin-4-amine
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N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
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CID 3061443
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
4-{[4-(Benzyloxy)phenyl]amino}quinazolin-6-ol
CID 5329481
N-{4-[(4-{[4-(benzyloxy)phenyl]amino}quinazolin-6-yl)oxy]butyl}-2,2,2-trifluoro-N-(2-methanesulfonylethyl)acetamide
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CID 5329483

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (CID 11155618) is 4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is COc1cc2c(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)ncnc2cc1C.
What is the InChIKey of 4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The InChIKey is XZKSPTBEYGRIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-19-16-24-23(17-25(19)34-2)26(29-18-28-24)31-12-14-32(15-13-31)27(33)30-20-8-10-22(11-9-20)35-21-6-4-3-5-7-21/h3-11,16-18H,12-15H2,1-2H3,(H,30,33).
What are the key properties of 4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-7-methylquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11155618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).