N-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide

C26H27N5O3 — CID 169231608

IUPACN-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(-c3cn(C4CCCCO4)nc3-c3ccccc3)ncnc2cc1OC
InChIInChI=1S/C26H27N5O3/c1-3-23(32)29-21-13-18-20(14-22(21)33-2)27-16-28-26(18)19-15-31(24-11-7-8-12-34-24)30-25(19)17-9-5-4-6-10-17/h4-6,9-10,13-16,24H,3,7-8,11-12H2,1-2H3,(H,29,32)
InChIKeyRDQTYJAZLPGZKN-UHFFFAOYSA-N
MW457.53 g/mol
LogP5.22
Rot. Bonds6

About N-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide

N-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide (PubChem CID 169231608) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide.

Molecular Properties

Compound NameN-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide
PubChem CID169231608
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1cc2c(-c3cn(C4CCCCO4)nc3-c3ccccc3)ncnc2cc1OC
InChIInChI=1S/C26H27N5O3/c1-3-23(32)29-21-13-18-20(14-22(21)33-2)27-16-28-26(18)19-15-31(24-11-7-8-12-34-24)30-25(19)17-9-5-4-6-10-17/h4-6,9-10,13-16,24H,3,7-8,11-12H2,1-2H3,(H,29,32)
InChIKeyRDQTYJAZLPGZKN-UHFFFAOYSA-N
XLogP5.22
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide
CID 169231096
[4-(1-methyl-3-phenylpyrazol-4-yl)-6-(propanoylamino)quinazolin-7-yl] trifluoromethanesulfonate
CID 169231676
cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide
CID 169231672
N-[4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-7-methoxyquinazolin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
CID 169231444
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide
CID 176837271
6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline
CID 169231514
(3S,4S)-3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 170162449
tert-butyl 4-[[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]carbamoyl]-2-methylpiperazine-1-carboxylate
CID 169231303
methane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate
CID 169231985
1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone
CID 169231124
tert-butyl 1-[[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 169231823
1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide
CID 169231723

Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide?
The IUPAC name of N-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide (CID 169231608) is N-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide.
What is the SMILES notation for N-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide?
The canonical SMILES for N-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide is CCC(=O)Nc1cc2c(-c3cn(C4CCCCO4)nc3-c3ccccc3)ncnc2cc1OC.
What is the InChIKey of N-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide?
The InChIKey is RDQTYJAZLPGZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-3-23(32)29-21-13-18-20(14-22(21)33-2)27-16-28-26(18)19-15-31(24-11-7-8-12-34-24)30-25(19)17-9-5-4-6-10-17/h4-6,9-10,13-16,24H,3,7-8,11-12H2,1-2H3,(H,29,32).
What are the key properties of N-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide?
N-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide has a molecular weight of 457.53 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-4-[1-(oxan-2-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl]propanamide is sourced from PubChem (CID 169231608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).