4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile

C23H24N6O — CID 71679494

IUPAC4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile
SMILESCN1CCN(C(=O)c2ccc(CCNc3ncnc4ccc(C#N)cc34)cc2)CC1
InChIInChI=1S/C23H24N6O/c1-28-10-12-29(13-11-28)23(30)19-5-2-17(3-6-19)8-9-25-22-20-14-18(15-24)4-7-21(20)26-16-27-22/h2-7,14,16H,8-13H2,1H3,(H,25,26,27)
InChIKeyLRSAOBXYBYKPOO-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.54
Rot. Bonds5

About 4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile

4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile (PubChem CID 71679494) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile.

Molecular Properties

Compound Name4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile
PubChem CID71679494
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile
SMILESCN1CCN(C(=O)c2ccc(CCNc3ncnc4ccc(C#N)cc34)cc2)CC1
InChIInChI=1S/C23H24N6O/c1-28-10-12-29(13-11-28)23(30)19-5-2-17(3-6-19)8-9-25-22-20-14-18(15-24)4-7-21(20)26-16-27-22/h2-7,14,16H,8-13H2,1H3,(H,25,26,27)
InChIKeyLRSAOBXYBYKPOO-UHFFFAOYSA-N
XLogP2.54
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinazoline-6-carbonitrile;dihydrochloride
CID 142770728
4-[2-[6-(morpholine-4-carbonyl)naphthalen-2-yl]ethylamino]quinazoline-6-carbonitrile
CID 71679652
4-[[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]quinazoline-6-carbonitrile
CID 164617851
[6-[2-[(6-iodoquinazolin-4-yl)amino]ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 162343380
(4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone
CID 175723152
N-[3-[2-[(6-cyanoquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 56942640
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 86305930
4-[2-[6-(4-propan-2-ylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile
CID 147881461
N-[4-[6-[2-[(6-cyanoquinolin-4-yl)amino]ethyl]naphthalene-2-carbonyl]-1-oxo-1,4-thiazinan-1-ylidene]-2,2,2-trifluoroacetamide
CID 162464897
4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile
CID 151453562
N,N-dimethyl-4-[2-[(6-nitroquinazolin-4-yl)amino]ethyl]benzamide
CID 71378888
4-(2-methylpropylamino)quinazoline-6-carbonitrile
CID 56942486

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile?
The IUPAC name of 4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile (CID 71679494) is 4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile.
What is the SMILES notation for 4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile?
The canonical SMILES for 4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile is CN1CCN(C(=O)c2ccc(CCNc3ncnc4ccc(C#N)cc34)cc2)CC1.
What is the InChIKey of 4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile?
The InChIKey is LRSAOBXYBYKPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-28-10-12-29(13-11-28)23(30)19-5-2-17(3-6-19)8-9-25-22-20-14-18(15-24)4-7-21(20)26-16-27-22/h2-7,14,16H,8-13H2,1H3,(H,25,26,27).
What are the key properties of 4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile?
4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile has a molecular weight of 400.49 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethylamino]quinazoline-6-carbonitrile is sourced from PubChem (CID 71679494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).