(2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide

C19H18N4O2 — CID 126767787

IUPAC(2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCn1c(CN2c3ccccc3C[C@H]2C(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C19H18N4O2/c1-22-17(21-14-8-4-3-7-13(14)19(22)25)11-23-15-9-5-2-6-12(15)10-16(23)18(20)24/h2-9,16H,10-11H2,1H3,(H2,20,24)/t16-/m0/s1
InChIKeyXPWKCOZFHSTVOZ-INIZCTEOSA-N
MW334.38 g/mol
LogP1.35
Rot. Bonds3

About (2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide

(2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 126767787) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide
PubChem CID126767787
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCn1c(CN2c3ccccc3C[C@H]2C(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C19H18N4O2/c1-22-17(21-14-8-4-3-7-13(14)19(22)25)11-23-15-9-5-2-6-12(15)10-16(23)18(20)24/h2-9,16H,10-11H2,1H3,(H2,20,24)/t16-/m0/s1
InChIKeyXPWKCOZFHSTVOZ-INIZCTEOSA-N
XLogP1.35
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide (CID 126767787) is (2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide is Cn1c(CN2c3ccccc3C[C@H]2C(N)=O)nc2ccccc2c1=O.
What is the InChIKey of (2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is XPWKCOZFHSTVOZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-22-17(21-14-8-4-3-7-13(14)19(22)25)11-23-15-9-5-2-6-12(15)10-16(23)18(20)24/h2-9,16H,10-11H2,1H3,(H2,20,24)/t16-/m0/s1.
What are the key properties of (2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 126767787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).