3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide

C19H25N5O3 — CID 165420133

IUPAC3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2ccc3c(=O)n(C)cnc3c2)N1C
InChIInChI=1S/C19H25N5O3/c1-20-17(25)9-13-5-6-14(24(13)3)10-21-18(26)12-4-7-15-16(8-12)22-11-23(2)19(15)27/h4,7-8,11,13-14H,5-6,9-10H2,1-3H3,(H,20,25)(H,21,26)/t13-,14+/m1/s1
InChIKeyJMYKHQFEVMKFEC-KGLIPLIRSA-N
MW371.44 g/mol
LogP0.26
Rot. Bonds5

About 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide

3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide (PubChem CID 165420133) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide
PubChem CID165420133
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2ccc3c(=O)n(C)cnc3c2)N1C
InChIInChI=1S/C19H25N5O3/c1-20-17(25)9-13-5-6-14(24(13)3)10-21-18(26)12-4-7-15-16(8-12)22-11-23(2)19(15)27/h4,7-8,11,13-14H,5-6,9-10H2,1-3H3,(H,20,25)(H,21,26)/t13-,14+/m1/s1
InChIKeyJMYKHQFEVMKFEC-KGLIPLIRSA-N
XLogP0.26
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide?
The IUPAC name of 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide (CID 165420133) is 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide is CNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2ccc3c(=O)n(C)cnc3c2)N1C.
What is the InChIKey of 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide?
The InChIKey is JMYKHQFEVMKFEC-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-20-17(25)9-13-5-6-14(24(13)3)10-21-18(26)12-4-7-15-16(8-12)22-11-23(2)19(15)27/h4,7-8,11,13-14H,5-6,9-10H2,1-3H3,(H,20,25)(H,21,26)/t13-,14+/m1/s1.
What are the key properties of 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide?
3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 165420133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).