2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline

C28H33FN4O — CID 144986212

IUPAC2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline
SMILESCOc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N4CC[C@@H](C)C4)cc23)CC1
InChIInChI=1S/C28H33FN4O/c1-19-9-14-33(18-19)21-7-8-24-23(17-21)26(31-27(30-24)28(29)12-13-28)32-15-10-20(11-16-32)22-5-3-4-6-25(22)34-2/h3-8,17,19-20H,9-16,18H2,1-2H3/t19-/m1/s1
InChIKeyQIMUOJFYSGDFST-LJQANCHMSA-N
MW460.60 g/mol
LogP5.83
Rot. Bonds5

About 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline

2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline (PubChem CID 144986212) has the molecular formula C28H33FN4O and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline
PubChem CID144986212
Molecular FormulaC28H33FN4O
Molecular Weight460.60 g/mol
Exact Mass460.26
IUPAC Name2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline
SMILESCOc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N4CC[C@@H](C)C4)cc23)CC1
InChIInChI=1S/C28H33FN4O/c1-19-9-14-33(18-19)21-7-8-24-23(17-21)26(31-27(30-24)28(29)12-13-28)32-15-10-20(11-16-32)22-5-3-4-6-25(22)34-2/h3-8,17,19-20H,9-16,18H2,1-2H3/t19-/m1/s1
InChIKeyQIMUOJFYSGDFST-LJQANCHMSA-N
XLogP5.83
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
2-((2-(1-Fluorocyclopropyl)-4-(4-(2-methoxyphenyl)piperidin-1-yl)quinazolin-6-yl)(methyl)amino)ethan-1-ol
CID 118610427
(2-Fluoromethyl-quinazolin-4-yl)-(4-methoxy-phenyl)-methyl-amine
CID 11208709
5-[(1-Benzylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine
CID 57576574
2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline
CID 71542890
N4-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 509545
N4-[2-(3-methoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 509546
N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)quinazolin-2-amine hydrochloride
CID 6602960
2,4-Diamino-6-[N-(2,5-dimethoxybenzyl)-N-ethylamino]quinazoline
CID 25099170
7-(2-Ethoxyphenyl)quinazoline-2,4-diamine
CID 56666219

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline?
The IUPAC name of 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline (CID 144986212) is 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline.
What is the SMILES notation for 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline?
The canonical SMILES for 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline is COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N4CC[C@@H](C)C4)cc23)CC1.
What is the InChIKey of 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline?
The InChIKey is QIMUOJFYSGDFST-LJQANCHMSA-N. The full InChI is InChI=1S/C28H33FN4O/c1-19-9-14-33(18-19)21-7-8-24-23(17-21)26(31-27(30-24)28(29)12-13-28)32-15-10-20(11-16-32)22-5-3-4-6-25(22)34-2/h3-8,17,19-20H,9-16,18H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline?
2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline has a molecular weight of 460.60 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3R)-3-methylpyrrolidin-1-yl]quinazoline is sourced from PubChem (CID 144986212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).