N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide

C18H20Cl2N4O2 — CID 38858482

IUPACN-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C18H20Cl2N4O2/c19-11-7-14-17(15(20)8-11)21-10-24(18(14)26)9-16(25)22-12-3-5-23(6-4-12)13-1-2-13/h7-8,10,12-13H,1-6,9H2,(H,22,25)
InChIKeyKRBKTMNABZYTAA-UHFFFAOYSA-N
MW395.29 g/mol
LogP2.45
Rot. Bonds4

About N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide

N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 38858482) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
PubChem CID38858482
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C18H20Cl2N4O2/c19-11-7-14-17(15(20)8-11)21-10-24(18(14)26)9-16(25)22-12-3-5-23(6-4-12)13-1-2-13/h7-8,10,12-13H,1-6,9H2,(H,22,25)
InChIKeyKRBKTMNABZYTAA-UHFFFAOYSA-N
XLogP2.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 4809052
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7628728
N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 16610686
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7875332
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8891969
N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 39014163
N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7875306
6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 18195115
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18195110
N-(4-chloro-2-methylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7628708
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide
CID 7875350
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide (CID 38858482) is N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is KRBKTMNABZYTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c19-11-7-14-17(15(20)8-11)21-10-24(18(14)26)9-16(25)22-12-3-5-23(6-4-12)13-1-2-13/h7-8,10,12-13H,1-6,9H2,(H,22,25).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 395.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 38858482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).