4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide

C28H29N5O5 — CID 10973305

IUPAC4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5OC)cc4)CC3)c2cc1OC
InChIInChI=1S/C28H29N5O5/c1-35-23-6-4-5-7-24(23)38-20-10-8-19(9-11-20)31-28(34)33-14-12-32(13-15-33)27-21-16-25(36-2)26(37-3)17-22(21)29-18-30-27/h4-11,16-18H,12-15H2,1-3H3,(H,31,34)
InChIKeyBJBJKLHEXNYDIT-UHFFFAOYSA-N
MW515.57 g/mol
LogP4.80
Rot. Bonds7

About 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide

4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide (PubChem CID 10973305) has the molecular formula C28H29N5O5 and a molecular weight of 515.57 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
PubChem CID10973305
Molecular FormulaC28H29N5O5
Molecular Weight515.57 g/mol
Exact Mass515.22
IUPAC Name4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5OC)cc4)CC3)c2cc1OC
InChIInChI=1S/C28H29N5O5/c1-35-23-6-4-5-7-24(23)38-20-10-8-19(9-11-20)31-28(34)33-14-12-32(13-15-33)27-21-16-25(36-2)26(37-3)17-22(21)29-18-30-27/h4-11,16-18H,12-15H2,1-3H3,(H,31,34)
InChIKeyBJBJKLHEXNYDIT-UHFFFAOYSA-N
XLogP4.80
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(6-methoxy-7-propoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 11752632
N-(4-butoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707356
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
4-(6-methoxy-7-prop-2-enoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 10118413
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-ethylphenyl)piperazine-1-carboxamide
CID 11015336
4-(7-ethoxy-6-methoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10115819
4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 11112014
4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide
CID 22707451
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
N-(4-phenoxyphenyl)-4-(7-propan-2-yloxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707669

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide (CID 10973305) is 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide is COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5OC)cc4)CC3)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is BJBJKLHEXNYDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O5/c1-35-23-6-4-5-7-24(23)38-20-10-8-19(9-11-20)31-28(34)33-14-12-32(13-15-33)27-21-16-25(36-2)26(37-3)17-22(21)29-18-30-27/h4-11,16-18H,12-15H2,1-3H3,(H,31,34).
What are the key properties of 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide?
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 515.57 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 10973305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).