4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide

C20H22N6O3 — CID 11112014

IUPAC4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(=O)Nc4cccnc4)CC3)c2cc1OC
InChIInChI=1S/C20H22N6O3/c1-28-17-10-15-16(11-18(17)29-2)22-13-23-19(15)25-6-8-26(9-7-25)20(27)24-14-4-3-5-21-12-14/h3-5,10-13H,6-9H2,1-2H3,(H,24,27)
InChIKeyHKJAUNDAAQAGDN-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.40
Rot. Bonds4

About 4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide

4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 11112014) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID11112014
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESCOc1cc2ncnc(N3CCN(C(=O)Nc4cccnc4)CC3)c2cc1OC
InChIInChI=1S/C20H22N6O3/c1-28-17-10-15-16(11-18(17)29-2)22-13-23-19(15)25-6-8-26(9-7-25)20(27)24-14-4-3-5-21-12-14/h3-5,10-13H,6-9H2,1-2H3,(H,24,27)
InChIKeyHKJAUNDAAQAGDN-UHFFFAOYSA-N
XLogP2.40
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide
CID 22707451
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 11015336
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 10973305
N-(4-butoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707356
4-(6-methoxy-7-propoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 11752632
4-(6-methoxy-7-prop-2-enoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 10118413
2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol
CID 144729057
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
N-(4-cyanophenyl)-4-(6-hydroxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 11200526
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-fluoro-3-nitrophenyl)piperazine-1-carboxamide
CID 22707479
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide (CID 11112014) is 4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide is COc1cc2ncnc(N3CCN(C(=O)Nc4cccnc4)CC3)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is HKJAUNDAAQAGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-28-17-10-15-16(11-18(17)29-2)22-13-23-19(15)25-6-8-26(9-7-25)20(27)24-14-4-3-5-21-12-14/h3-5,10-13H,6-9H2,1-2H3,(H,24,27).
What are the key properties of 4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide?
4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 11112014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).