(6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C23H24N4O2 — CID 92856144

IUPAC(6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2C1
InChIInChI=1S/C23H24N4O2/c28-22(29)18-11-12-20-19(13-18)21(24-14-16-7-3-1-4-8-16)27-23(26-20)25-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,28,29)(H2,24,25,26,27)/t18-/m1/s1
InChIKeyXMTDLARIWXOOOM-GOSISDBHSA-N
MW388.47 g/mol
LogP3.89
Rot. Bonds7

About (6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

(6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 92856144) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID92856144
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2C1
InChIInChI=1S/C23H24N4O2/c28-22(29)18-11-12-20-19(13-18)21(24-14-16-7-3-1-4-8-16)27-23(26-20)25-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,28,29)(H2,24,25,26,27)/t18-/m1/s1
InChIKeyXMTDLARIWXOOOM-GOSISDBHSA-N
XLogP3.89
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid with MolForge

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Related Compounds

ethyl 4-(benzylamino)-2-imidazol-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylate
CID 19392172
2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 104609415
2-[[2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]acetic acid
CID 95926488
2-[[4-(benzylamino)-6-(1,3-oxazol-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]-2-methylpropanoic acid
CID 138112745
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
4-methyl-2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81424548
5-[[[6-methyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]amino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
CID 167760317
2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82134970
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
ethyl 2-[[4-(benzylamino)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]amino]-2-methylpropanoate
CID 138111474
2-(benzylamino)-3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one
CID 136965871
2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82132812

Frequently Asked Questions

What is the IUPAC name of (6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of (6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 92856144) is (6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for (6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for (6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is O=C(O)[C@@H]1CCc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2C1.
What is the InChIKey of (6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is XMTDLARIWXOOOM-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(29)18-11-12-20-19(13-18)21(24-14-16-7-3-1-4-8-16)27-23(26-20)25-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,28,29)(H2,24,25,26,27)/t18-/m1/s1.
What are the key properties of (6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
(6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 388.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 92856144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).