5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one

C14H16ClN3O — CID 144977778

IUPAC5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1[C@H]1CCNC1
InChIInChI=1S/C14H16ClN3O/c1-2-12-17-11-5-3-4-10(15)13(11)14(19)18(12)9-6-7-16-8-9/h3-5,9,16H,2,6-8H2,1H3/t9-/m0/s1
InChIKeyRUZSQRPRFRWPND-VIFPVBQESA-N
MW277.75 g/mol
LogP2.15
Rot. Bonds2

About 5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one

5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one (PubChem CID 144977778) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
PubChem CID144977778
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1[C@H]1CCNC1
InChIInChI=1S/C14H16ClN3O/c1-2-12-17-11-5-3-4-10(15)13(11)14(19)18(12)9-6-7-16-8-9/h3-5,9,16H,2,6-8H2,1H3/t9-/m0/s1
InChIKeyRUZSQRPRFRWPND-VIFPVBQESA-N
XLogP2.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one?
The IUPAC name of 5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one (CID 144977778) is 5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one.
What is the SMILES notation for 5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one?
The canonical SMILES for 5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one is CCc1nc2cccc(Cl)c2c(=O)n1[C@H]1CCNC1.
What is the InChIKey of 5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one?
The InChIKey is RUZSQRPRFRWPND-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-12-17-11-5-3-4-10(15)13(11)14(19)18(12)9-6-7-16-8-9/h3-5,9,16H,2,6-8H2,1H3/t9-/m0/s1.
What are the key properties of 5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one?
5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one has a molecular weight of 277.75 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one is sourced from PubChem (CID 144977778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).