N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide

C26H23N5O2 — CID 146690128

IUPACN-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide
SMILESCC#CC(=O)N(CC)c1cccc(Nc2ncc3cc(-c4c(C)cc[nH]c4=O)ccc3n2)c1
InChIInChI=1S/C26H23N5O2/c1-4-7-23(32)31(5-2)21-9-6-8-20(15-21)29-26-28-16-19-14-18(10-11-22(19)30-26)24-17(3)12-13-27-25(24)33/h6,8-16H,5H2,1-3H3,(H,27,33)(H,28,29,30)
InChIKeyQFQAQAVOCBSXAY-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.41
Rot. Bonds5

About N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide

N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide (PubChem CID 146690128) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide
PubChem CID146690128
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide
SMILESCC#CC(=O)N(CC)c1cccc(Nc2ncc3cc(-c4c(C)cc[nH]c4=O)ccc3n2)c1
InChIInChI=1S/C26H23N5O2/c1-4-7-23(32)31(5-2)21-9-6-8-20(15-21)29-26-28-16-19-14-18(10-11-22(19)30-26)24-17(3)12-13-27-25(24)33/h6,8-16H,5H2,1-3H3,(H,27,33)(H,28,29,30)
InChIKeyQFQAQAVOCBSXAY-UHFFFAOYSA-N
XLogP4.41
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide with MolForge

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Related Compounds

N-ethyl-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide
CID 163491081
N-ethyl-N-[3-[[6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]quinazolin-2-yl]amino]phenyl]but-2-ynamide
CID 162699496
3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one
CID 162699487
N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]-N-(1,1,2,2,2-pentadeuterioethyl)prop-2-enamide
CID 162699485
benzyl 3-[2-[3-[ethyl(prop-2-enoyl)amino]anilino]quinazolin-6-yl]-4-methyl-2-oxopyridine-1-carboxylate
CID 162699474
N-ethyl-N-[3-[[6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]quinazolin-2-yl]amino]phenyl]prop-2-enamide
CID 162699491
3-[2-(3-aminoanilino)quinazolin-6-yl]-4-methyl-1H-pyridin-2-one;(E)-6-bromo-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]hex-4-enamide;(E)-4-(dimethylamino)-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-enamide;N-methylmethanamine
CID 163594756
N-(2-methoxyethyl)-N-[3-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide
CID 163557186
N-ethyl-N-[2-methyl-5-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide
CID 163557184
2-[2-[3-(ethylamino)anilino]quinazolin-6-yl]-3-methylcyclohexa-2,4-dien-1-one
CID 163516568
ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate
CID 168990724
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide?
The IUPAC name of N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide (CID 146690128) is N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide.
What is the SMILES notation for N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide?
The canonical SMILES for N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide is CC#CC(=O)N(CC)c1cccc(Nc2ncc3cc(-c4c(C)cc[nH]c4=O)ccc3n2)c1.
What is the InChIKey of N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide?
The InChIKey is QFQAQAVOCBSXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-4-7-23(32)31(5-2)21-9-6-8-20(15-21)29-26-28-16-19-14-18(10-11-22(19)30-26)24-17(3)12-13-27-25(24)33/h6,8-16H,5H2,1-3H3,(H,27,33)(H,28,29,30).
What are the key properties of N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide?
N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide has a molecular weight of 437.50 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[[6-(4-methyl-2-oxo-1H-pyridin-3-yl)quinazolin-2-yl]amino]phenyl]but-2-ynamide is sourced from PubChem (CID 146690128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).