N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide

C22H24N4O3 — CID 174565011

IUPACN-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide
SMILESCOc1cc2ncnc(C3CCN(N(C=O)c4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C22H24N4O3/c1-28-20-12-18-19(13-21(20)29-2)23-14-24-22(18)16-8-10-25(11-9-16)26(15-27)17-6-4-3-5-7-17/h3-7,12-16H,8-11H2,1-2H3
InChIKeyGFBYANDEJOOILS-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.40
Rot. Bonds6

About N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide

N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide (PubChem CID 174565011) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide
PubChem CID174565011
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide
SMILESCOc1cc2ncnc(C3CCN(N(C=O)c4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C22H24N4O3/c1-28-20-12-18-19(13-21(20)29-2)23-14-24-22(18)16-8-10-25(11-9-16)26(15-27)17-6-4-3-5-7-17/h3-7,12-16H,8-11H2,1-2H3
InChIKeyGFBYANDEJOOILS-UHFFFAOYSA-N
XLogP3.40
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohexyl-6,7-dimethoxyquinazoline
CID 67650996
N-[4-(6-methoxy-7-prop-2-ynoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-phenoxyphenyl)formamide
CID 87672941
2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid
CID 154672995
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate
CID 162511263
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 58770728
N-cyclohexyl-6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 18770836
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone
CID 139466459
6,7-dimethoxy-4-phenylsulfanylquinazoline
CID 141248835
N-[4-[7-(2-hydroxy-1-piperidin-3-ylpropoxy)-6-methoxyquinazolin-4-yl]piperazin-1-yl]-N-(4-propan-2-yloxyphenyl)formamide
CID 87174793
[4-(6,7-dimethoxyquinazolin-4-yl)cyclohexyl] ethyl hydrogen phosphate
CID 175544920
1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one
CID 141169592
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
CID 2808856

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide (CID 174565011) is N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide is COc1cc2ncnc(C3CCN(N(C=O)c4ccccc4)CC3)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide?
The InChIKey is GFBYANDEJOOILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-20-12-18-19(13-21(20)29-2)23-14-24-22(18)16-8-10-25(11-9-16)26(15-27)17-6-4-3-5-7-17/h3-7,12-16H,8-11H2,1-2H3.
What are the key properties of N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide?
N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide has a molecular weight of 392.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide is sourced from PubChem (CID 174565011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).