N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide

C24H23FN6O — CID 141482985

IUPACN-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide
SMILESNc1nc(N)c2cc(NCc3ccc(CCNC(=O)c4cccc(F)c4)cc3)ccc2n1
InChIInChI=1S/C24H23FN6O/c25-18-3-1-2-17(12-18)23(32)28-11-10-15-4-6-16(7-5-15)14-29-19-8-9-21-20(13-19)22(26)31-24(27)30-21/h1-9,12-13,29H,10-11,14H2,(H,28,32)(H4,26,27,30,31)
InChIKeySXTABGSSQYSTFD-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.52
Rot. Bonds7

About N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide

N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide (PubChem CID 141482985) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide
PubChem CID141482985
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC NameN-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide
SMILESNc1nc(N)c2cc(NCc3ccc(CCNC(=O)c4cccc(F)c4)cc3)ccc2n1
InChIInChI=1S/C24H23FN6O/c25-18-3-1-2-17(12-18)23(32)28-11-10-15-4-6-16(7-5-15)14-29-19-8-9-21-20(13-19)22(26)31-24(27)30-21/h1-9,12-13,29H,10-11,14H2,(H,28,32)(H4,26,27,30,31)
InChIKeySXTABGSSQYSTFD-UHFFFAOYSA-N
XLogP3.52
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide with MolForge

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Related Compounds

Fatty acids, C16-18, sulfo, 1-Me esters, sodium salts
CID 53346507
Bms-833923
CID 57662985
N-(4-m-Tolylamino-quinazolin-6-yl)-acrylamide
CID 9995195
N-(4-Phenylamino-quinazolin-6-YL)-acrylamide
CID 10401956
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 15991573
Sgi-1027
CID 24858111
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11518031
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
Aminoquinazoline amide, 35
CID 25138148
4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide
CID 66763327
KF 15232
CID 130152

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide (CID 141482985) is N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide is Nc1nc(N)c2cc(NCc3ccc(CCNC(=O)c4cccc(F)c4)cc3)ccc2n1.
What is the InChIKey of N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide?
The InChIKey is SXTABGSSQYSTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c25-18-3-1-2-17(12-18)23(32)28-11-10-15-4-6-16(7-5-15)14-29-19-8-9-21-20(13-19)22(26)31-24(27)30-21/h1-9,12-13,29H,10-11,14H2,(H,28,32)(H4,26,27,30,31).
What are the key properties of N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide?
N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide has a molecular weight of 430.49 g/mol, XLogP of 3.52, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 141482985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).