N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide

C29H31N5O2 — CID 68942535

IUPACN-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide
SMILESCC(C)CN(Cc1cccc(-c2ccc3ncnc(N4CCOCC4)c3c2)c1)C(=O)c1ccccn1
InChIInChI=1S/C29H31N5O2/c1-21(2)18-34(29(35)27-8-3-4-11-30-27)19-22-6-5-7-23(16-22)24-9-10-26-25(17-24)28(32-20-31-26)33-12-14-36-15-13-33/h3-11,16-17,20-21H,12-15,18-19H2,1-2H3
InChIKeyASZHIQDODDEMCL-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.83
Rot. Bonds7

About N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide

N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 68942535) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID68942535
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC NameN-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide
SMILESCC(C)CN(Cc1cccc(-c2ccc3ncnc(N4CCOCC4)c3c2)c1)C(=O)c1ccccn1
InChIInChI=1S/C29H31N5O2/c1-21(2)18-34(29(35)27-8-3-4-11-30-27)19-22-6-5-7-23(16-22)24-9-10-26-25(17-24)28(32-20-31-26)33-12-14-36-15-13-33/h3-11,16-17,20-21H,12-15,18-19H2,1-2H3
InChIKeyASZHIQDODDEMCL-UHFFFAOYSA-N
XLogP4.83
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842358
N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide
CID 68944022
1-[5-(4-morpholin-4-ylquinazolin-6-yl)furan-2-yl]ethanol
CID 46916200
N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842372
pyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate
CID 24994261
1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione
CID 57434941
(4-morpholin-4-ylquinazolin-6-yl)boronic acid
CID 141302023
N-benzyl-2-cyano-N-[[3-[4-(propan-2-ylamino)quinazolin-6-yl]phenyl]methyl]acetamide
CID 68946084
N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide
CID 59406583
3-fluoro-N-[[3-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 57434839
N-benzyl-N-[[3-[4-(propan-2-ylamino)quinazolin-6-yl]phenyl]methyl]thiophene-2-carboxamide
CID 68943878
4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine
CID 90095353

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide (CID 68942535) is N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide is CC(C)CN(Cc1cccc(-c2ccc3ncnc(N4CCOCC4)c3c2)c1)C(=O)c1ccccn1.
What is the InChIKey of N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is ASZHIQDODDEMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c1-21(2)18-34(29(35)27-8-3-4-11-30-27)19-22-6-5-7-23(16-22)24-9-10-26-25(17-24)28(32-20-31-26)33-12-14-36-15-13-33/h3-11,16-17,20-21H,12-15,18-19H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide?
N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 68942535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).