N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

C18H19N5O2S — CID 24817903

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)s1
InChIInChI=1S/C18H19N5O2S/c1-10(2)8-15-21-22-18(26-15)20-16(24)11-5-6-12-13(9-11)19-14-4-3-7-23(14)17(12)25/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,22,24)
InChIKeyJRILELCDNLKYOV-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.64
Rot. Bonds4

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 24817903) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID24817903
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)s1
InChIInChI=1S/C18H19N5O2S/c1-10(2)8-15-21-22-18(26-15)20-16(24)11-5-6-12-13(9-11)19-14-4-3-7-23(14)17(12)25/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,22,24)
InChIKeyJRILELCDNLKYOV-UHFFFAOYSA-N
XLogP2.64
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (CID 24817903) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is CC(C)Cc1nnc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is JRILELCDNLKYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-10(2)8-15-21-22-18(26-15)20-16(24)11-5-6-12-13(9-11)19-14-4-3-7-23(14)17(12)25/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,22,24).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 24817903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).