(3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol

C17H24N4O2 — CID 133127142

IUPAC(3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol
SMILESCC(C)O[C@@H]1CN(c2nc(CCN)nc3ccccc23)C[C@H]1O
InChIInChI=1S/C17H24N4O2/c1-11(2)23-15-10-21(9-14(15)22)17-12-5-3-4-6-13(12)19-16(20-17)7-8-18/h3-6,11,14-15,22H,7-10,18H2,1-2H3/t14-,15-/m1/s1
InChIKeyNKXHEQVYTYSBFC-HUUCEWRRSA-N
MW316.41 g/mol
LogP1.11
Rot. Bonds5

About (3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol

(3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol (PubChem CID 133127142) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol
PubChem CID133127142
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol
SMILESCC(C)O[C@@H]1CN(c2nc(CCN)nc3ccccc23)C[C@H]1O
InChIInChI=1S/C17H24N4O2/c1-11(2)23-15-10-21(9-14(15)22)17-12-5-3-4-6-13(12)19-16(20-17)7-8-18/h3-6,11,14-15,22H,7-10,18H2,1-2H3/t14-,15-/m1/s1
InChIKeyNKXHEQVYTYSBFC-HUUCEWRRSA-N
XLogP1.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[2-(2-aminoethyl)quinazolin-4-yl]-3-ethylpiperidin-3-yl]methanol
CID 50967083
[4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine
CID 103542119
2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline
CID 103536646
(4-pyrrolidin-1-ylquinazolin-2-yl)methanamine
CID 68905950
2-[4-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]quinazolin-2-yl]ethanamine
CID 95130438
(3S,4S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol
CID 56905445
(3R)-4-[2-(2-aminoethyl)quinazolin-4-yl]-3-butyl-1-methylpiperazin-2-one
CID 95122974
(3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol
CID 134710020
2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine
CID 50962042
4-(azepan-1-yl)-N-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]quinazolin-2-amine
CID 66904114
4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride
CID 154885877
(3R,5S)-5-amino-1-(2-phenylquinazolin-4-yl)piperidin-3-ol
CID 146046335

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol (CID 133127142) is (3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol is CC(C)O[C@@H]1CN(c2nc(CCN)nc3ccccc23)C[C@H]1O.
What is the InChIKey of (3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol?
The InChIKey is NKXHEQVYTYSBFC-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11(2)23-15-10-21(9-14(15)22)17-12-5-3-4-6-13(12)19-16(20-17)7-8-18/h3-6,11,14-15,22H,7-10,18H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol?
(3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol has a molecular weight of 316.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol is sourced from PubChem (CID 133127142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).