2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide

C24H29N5O5 — CID 74836650

IUPAC2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide
SMILESCCC(C)C(NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O)C(=O)NCc1ccncc1
InChIInChI=1S/C24H29N5O5/c1-5-15(2)22(23(31)26-12-16-6-8-25-9-7-16)28-21(30)13-29-14-27-18-11-20(34-4)19(33-3)10-17(18)24(29)32/h6-11,14-15,22H,5,12-13H2,1-4H3,(H,26,31)(H,28,30)
InChIKeyOZFVPUGSAKFXTH-UHFFFAOYSA-N
MW467.53 g/mol
LogP1.66
Rot. Bonds10

About 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide

2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide (PubChem CID 74836650) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide
PubChem CID74836650
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC Name2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide
SMILESCCC(C)C(NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O)C(=O)NCc1ccncc1
InChIInChI=1S/C24H29N5O5/c1-5-15(2)22(23(31)26-12-16-6-8-25-9-7-16)28-21(30)13-29-14-27-18-11-20(34-4)19(33-3)10-17(18)24(29)32/h6-11,14-15,22H,5,12-13H2,1-4H3,(H,26,31)(H,28,30)
InChIKeyOZFVPUGSAKFXTH-UHFFFAOYSA-N
XLogP1.66
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2S,3S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 29147706
(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]-N-(2-hydroxyethyl)-3-methylbutanamide
CID 29147907
2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide
CID 74587709
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-[(2R)-6-methylheptan-2-yl]butanamide
CID 29147451
N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 166238740
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 39377619
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55844680
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 71703841
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 46426810

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide?
The IUPAC name of 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide (CID 74836650) is 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide.
What is the SMILES notation for 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide?
The canonical SMILES for 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide is CCC(C)C(NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O)C(=O)NCc1ccncc1.
What is the InChIKey of 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide?
The InChIKey is OZFVPUGSAKFXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-5-15(2)22(23(31)26-12-16-6-8-25-9-7-16)28-21(30)13-29-14-27-18-11-20(34-4)19(33-3)10-17(18)24(29)32/h6-11,14-15,22H,5,12-13H2,1-4H3,(H,26,31)(H,28,30).
What are the key properties of 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide?
2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide has a molecular weight of 467.53 g/mol, XLogP of 1.66, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide is sourced from PubChem (CID 74836650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).