N-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide

C23H34N4O3 — CID 45173816

IUPACN-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc2nc(N3CCCC3C(=O)NC(C)CCCC(C)(C)O)nc(C)c2c1
InChIInChI=1S/C23H34N4O3/c1-15(8-6-12-23(3,4)29)24-21(28)20-9-7-13-27(20)22-25-16(2)18-14-17(30-5)10-11-19(18)26-22/h10-11,14-15,20,29H,6-9,12-13H2,1-5H3,(H,24,28)
InChIKeyZPRAJHGKNLTTEE-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.36
Rot. Bonds8

About N-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide

N-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 45173816) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
PubChem CID45173816
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc2nc(N3CCCC3C(=O)NC(C)CCCC(C)(C)O)nc(C)c2c1
InChIInChI=1S/C23H34N4O3/c1-15(8-6-12-23(3,4)29)24-21(28)20-9-7-13-27(20)22-25-16(2)18-14-17(30-5)10-11-19(18)26-22/h10-11,14-15,20,29H,6-9,12-13H2,1-5H3,(H,24,28)
InChIKeyZPRAJHGKNLTTEE-UHFFFAOYSA-N
XLogP3.36
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-[[(2S)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoate
CID 42320951
dimethyl (2S)-2-[[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]amino]pentanedioate
CID 42274019
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 118754407
methyl 2-[[1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]-4-methylsulfanylbutanoate
CID 126463580
2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide
CID 42384099
1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
CID 118759012
[1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 118757583
(2R)-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
CID 7327020
(2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 26281212
N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide
CID 136576718
(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
CID 42190788
(3R)-N-(2-methoxyethyl)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 26278572

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide (CID 45173816) is N-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide is COc1ccc2nc(N3CCCC3C(=O)NC(C)CCCC(C)(C)O)nc(C)c2c1.
What is the InChIKey of N-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is ZPRAJHGKNLTTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-15(8-6-12-23(3,4)29)24-21(28)20-9-7-13-27(20)22-25-16(2)18-14-17(30-5)10-11-19(18)26-22/h10-11,14-15,20,29H,6-9,12-13H2,1-5H3,(H,24,28).
What are the key properties of N-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide?
N-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-6-methylheptan-2-yl)-1-(6-methoxy-4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45173816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).