N-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide

C17H17ClN6O3 — CID 166273273

IUPACN-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide
SMILESO=C1NCc2ccc(C(=O)NC3CCN(c4cn[nH]c(=O)c4Cl)C3)cc2N1
InChIInChI=1S/C17H17ClN6O3/c18-14-13(7-20-23-16(14)26)24-4-3-11(8-24)21-15(25)9-1-2-10-6-19-17(27)22-12(10)5-9/h1-2,5,7,11H,3-4,6,8H2,(H,21,25)(H,23,26)(H2,19,22,27)
InChIKeyFYWDWPLLOPCYQR-UHFFFAOYSA-N
MW388.82 g/mol
LogP1.07
Rot. Bonds3

About N-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide

N-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide (PubChem CID 166273273) has the molecular formula C17H17ClN6O3 and a molecular weight of 388.82 g/mol. Its IUPAC name is N-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide
PubChem CID166273273
Molecular FormulaC17H17ClN6O3
Molecular Weight388.82 g/mol
Exact Mass388.11
IUPAC NameN-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide
SMILESO=C1NCc2ccc(C(=O)NC3CCN(c4cn[nH]c(=O)c4Cl)C3)cc2N1
InChIInChI=1S/C17H17ClN6O3/c18-14-13(7-20-23-16(14)26)24-4-3-11(8-24)21-15(25)9-1-2-10-6-19-17(27)22-12(10)5-9/h1-2,5,7,11H,3-4,6,8H2,(H,21,25)(H,23,26)(H2,19,22,27)
InChIKeyFYWDWPLLOPCYQR-UHFFFAOYSA-N
XLogP1.07
TPSA119.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3S)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate
CID 133380878
1-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 156534284
[4-(cyclopropylcarbamoyl)cyclohexyl] N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate
CID 162453447
1-[(3S)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]urea
CID 156534145
1-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-3-[3-(difluoromethoxy)phenyl]urea
CID 156534076
3-[[4-[[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]oxycarbonylamino]cyclohexyl]carbamoylamino]benzoic acid
CID 156534224
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 156563150
[4-[[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]oxycarbonylamino]cyclohexyl]carbamic acid
CID 156534230
4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-1H-pyridazin-6-one;tert-butyl N-[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate;4,5-dichloro-1H-pyridazin-6-one;hydrochloride
CID 158850415
[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl] N-(3-aminocyclobutyl)carbamate
CID 156563066
5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 18142945
5-chloro-4-[3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]-1H-pyridazin-6-one;2,2,2-trifluoroacetic acid
CID 154844709

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide (CID 166273273) is N-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide is O=C1NCc2ccc(C(=O)NC3CCN(c4cn[nH]c(=O)c4Cl)C3)cc2N1.
What is the InChIKey of N-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide?
The InChIKey is FYWDWPLLOPCYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O3/c18-14-13(7-20-23-16(14)26)24-4-3-11(8-24)21-15(25)9-1-2-10-6-19-17(27)22-12(10)5-9/h1-2,5,7,11H,3-4,6,8H2,(H,21,25)(H,23,26)(H2,19,22,27).
What are the key properties of N-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide?
N-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide has a molecular weight of 388.82 g/mol, XLogP of 1.07, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 166273273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).