(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide

C19H26N4O6 — CID 29147907

IUPAC(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCOc1cc2ncn(CC(=O)N[C@H](C(=O)NCCO)C(C)C)c(=O)c2cc1OC
InChIInChI=1S/C19H26N4O6/c1-11(2)17(18(26)20-5-6-24)22-16(25)9-23-10-21-13-8-15(29-4)14(28-3)7-12(13)19(23)27/h7-8,10-11,17,24H,5-6,9H2,1-4H3,(H,20,26)(H,22,25)/t17-/m0/s1
InChIKeyGFEUSMTWBMPWAF-KRWDZBQOSA-N
MW406.44 g/mol
LogP-0.34
Rot. Bonds9

About (2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide

(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide (PubChem CID 29147907) has the molecular formula C19H26N4O6 and a molecular weight of 406.44 g/mol. Its IUPAC name is (2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide
PubChem CID29147907
Molecular FormulaC19H26N4O6
Molecular Weight406.44 g/mol
Exact Mass406.19
IUPAC Name(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCOc1cc2ncn(CC(=O)N[C@H](C(=O)NCCO)C(C)C)c(=O)c2cc1OC
InChIInChI=1S/C19H26N4O6/c1-11(2)17(18(26)20-5-6-24)22-16(25)9-23-10-21-13-8-15(29-4)14(28-3)7-12(13)19(23)27/h7-8,10-11,17,24H,5-6,9H2,1-4H3,(H,20,26)(H,22,25)/t17-/m0/s1
InChIKeyGFEUSMTWBMPWAF-KRWDZBQOSA-N
XLogP-0.34
TPSA131.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide
CID 74587709
(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-[(2R)-6-methylheptan-2-yl]butanamide
CID 29147451
(2S,3S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 29147706
2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 74836650
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide
CID 91638290
(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(6-methylheptan-2-yl)pentanamide
CID 42648929
(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 39377619
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 71703841
(2R)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 96565054
N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 166238740
N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 166393120
methyl (2S)-2-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]-4-methylpentanoate
CID 45490464

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide (CID 29147907) is (2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide is COc1cc2ncn(CC(=O)N[C@H](C(=O)NCCO)C(C)C)c(=O)c2cc1OC.
What is the InChIKey of (2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide?
The InChIKey is GFEUSMTWBMPWAF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O6/c1-11(2)17(18(26)20-5-6-24)22-16(25)9-23-10-21-13-8-15(29-4)14(28-3)7-12(13)19(23)27/h7-8,10-11,17,24H,5-6,9H2,1-4H3,(H,20,26)(H,22,25)/t17-/m0/s1.
What are the key properties of (2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide?
(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide has a molecular weight of 406.44 g/mol, XLogP of -0.34, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide is sourced from PubChem (CID 29147907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).